SCHEMBL6820453

SCHEMBL6820453

CN1CCN(c2cccc3c2CC(NC(=O)c2ccc(N4CCOCC4)cc2)CC3)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.50
▸ DRD3 P35462 6/20 0.50
▸ HTR2A P28223 5/20 0.50
▸ USP30 Q70CQ3 1/20 0.50
▸ KCNH2 Q12809 3/20 0.49
▸ SCN9A Q15858 3/20 0.49
▸ SCN5A Q14524 2/20 0.49
▸ MTNR1A P48039 1/20 0.49
▸ MTNR1B P49286 1/20 0.49
▸ AR P10275 2/20 0.45
▸ TAOK3 Q9H2K8 1/20 0.44
▸ HDAC3 O15379 3/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ BRD4 O60885 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7024053 1.00 DRD2 (0.50) DRD2DRD3HTR2AUSP30KCNH2
SCHEMBL3830330 1.00 DRD2 (0.50) DRD2DRD3HTR2AUSP30KCNH2
SCHEMBL7028302 0.92 DRD2 (0.54) DRD2DRD3HTR2AUSP30KCNH2
SCHEMBL7029323 0.92 DRD2 (0.54) DRD2DRD3HTR2AUSP30KCNH2
SCHEMBL7029319 0.92 DRD2 (0.54) DRD2DRD3HTR2AUSP30KCNH2
SCHEMBL7021230 0.91 MTNR1A (0.50) DRD2DRD3HTR2AKCNH2SCN9A
SCHEMBL7021228 0.91 MTNR1A (0.50) DRD2DRD3HTR2AKCNH2SCN9A
SCHEMBL7030820 0.91 DRD2 (0.54) DRD2DRD3HTR2AUSP30KCNH2
SCHEMBL7028328 0.91 DRD2 (0.54) DRD2DRD3HTR2AUSP30KCNH2
SCHEMBL6819527 0.91 DRD2 (0.51) DRD2DRD3HTR2AUSP30KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014986-B1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT 1 BETA ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-07-14 — — EP claimed
EP-1021183-B1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-03-17 — — EP claimed
EP-1014985-B1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A H5-HT 1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2003-05-21 — — EP claimed
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 — — EP claimed
US-6159970-A Combination of a monoamine oxidase inhibitor and a h5-HT1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 — — US claimed
US-6159972-A Combination of a selective 5-HT1A antagonist and a selective ub. h5-HT.s1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 — — US claimed
US-6159971-A Combination of a 5-HT reuptake inhibitor and a h5-HT1B anatagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 — — US claimed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 — — US claimed
EP-1021183-A1 A COMBINATION OF A SELECTIVE 5-HT 1A? ANTAGONIST AND A SELECTIVE h5-HT 1B? ANTAGONIST OR PARTIAL AGONIST AstraZeneca AB (SE) 2000-07-26 — — EP claimed
EP-1014986-A1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT 1 BETA ANTAGONIST OR PARTIAL AGONIST AstraZeneca AB (SE) 2000-07-05 — — EP claimed
WO-1999013878-A1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 1999-03-25 — — WO claimed
WO-1999013876-A1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 1999-03-25 — — WO claimed
EP-1014986-B1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT 1 BETA ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-07-14 — — EP disclosed
EP-1021183-B1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-03-17 — — EP disclosed
EP-1014985-B1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A H5-HT 1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2003-05-21 — — EP disclosed
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 — — EP disclosed
EP-1021183-A1 A COMBINATION OF A SELECTIVE 5-HT 1A? ANTAGONIST AND A SELECTIVE h5-HT 1B? ANTAGONIST OR PARTIAL AGONIST AstraZeneca AB (SE) 2000-07-26 — — EP disclosed
EP-1014985-A1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A h5-HT 1B ANTAGONIST OR PARTIAL AGONIST AstraZeneca AB (SE) 2000-07-05 — — EP disclosed
WO-1999013876-A1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 1999-03-25 — — WO disclosed
WO-1999013877-A1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 1999-03-25 — — WO disclosed
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