SCHEMBL6820522

SCHEMBL6820522

CCN1CCN(c2cccc3c2CC(NC(=O)c2ccc(N4CCOCC4)cc2)CC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.51
▸ DRD3 P35462 7/20 0.51
▸ HTR2A P28223 6/20 0.51
▸ USP30 Q70CQ3 1/20 0.47
▸ MTNR1A P48039 2/20 0.46
▸ MTNR1B P49286 2/20 0.46
▸ KCNH2 Q12809 2/20 0.44
▸ SCN9A Q15858 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TAOK3 Q9H2K8 1/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ SCN5A Q14524 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6819527 1.00 DRD2 (0.51) DRD2DRD3HTR2AUSP30MTNR1A
SCHEMBL7030820 0.93 DRD2 (0.54) DRD2DRD3HTR2AUSP30MTNR1A
SCHEMBL7028328 0.93 DRD2 (0.54) DRD2DRD3HTR2AUSP30MTNR1A
SCHEMBL3830330 0.91 DRD2 (0.50) DRD2DRD3HTR2AUSP30MTNR1A
SCHEMBL6820453 0.91 DRD2 (0.50) DRD2DRD3HTR2AUSP30MTNR1A
SCHEMBL7024053 0.91 DRD2 (0.50) DRD2DRD3HTR2AUSP30MTNR1A
SCHEMBL6820477 0.86 USP30 (0.49) DRD2DRD3HTR2AUSP30MTNR1A
SCHEMBL6820526 0.86 USP30 (0.49) DRD2DRD3HTR2AUSP30MTNR1A
SCHEMBL6820291 0.84 GPR119 (0.49) DRD2DRD3HTR2AUSP30MTNR1A
SCHEMBL6820294 0.84 GPR119 (0.49) DRD2DRD3HTR2AUSP30MTNR1A

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 20 patents. 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-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-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-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 — — US 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
US-6410530-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-06-25 — — US disclosed
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 disclosed
US-6159970-A Combination of a monoamine oxidase inhibitor and a h5-HT1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 — — US disclosed
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 disclosed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 — — US 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
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
EP-0888319-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 1999-01-07 — — EP disclosed
WO-1997034883-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-09-25 — — WO disclosed
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