SCHEMBL6820291

SCHEMBL6820291

CC(C)(C)OC(=O)N1CCN(c2cccc3c2C[C@H](NC(=O)c2ccc(N4CCOCC4)cc2)CC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.49
▸ USP30 Q70CQ3 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ TGFBR1 P36897 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ SCN9A Q15858 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
SCHEMBL6820294 1.00 GPR119 (0.49) GPR119USP30SMN1; SMN2MEN1CYP2C19
SCHEMBL7024053 0.88 DRD2 (0.50) USP30MTNR1AMTNR1BDRD2HTR2A
SCHEMBL3830330 0.88 DRD2 (0.50) USP30MTNR1AMTNR1BDRD2HTR2A
SCHEMBL6820453 0.88 DRD2 (0.50) USP30MTNR1AMTNR1BDRD2HTR2A
SCHEMBL6816888 0.86 GPR119 (0.48) GPR119USP30SMN1; SMN2MEN1CYP2C19
SCHEMBL6816884 0.86 GPR119 (0.48) GPR119USP30SMN1; SMN2MEN1CYP2C19
SCHEMBL6819527 0.84 DRD2 (0.51) USP30SMN1; SMN2MTNR1AMTNR1BDRD2
SCHEMBL6820522 0.84 DRD2 (0.51) USP30SMN1; SMN2MTNR1AMTNR1BDRD2
SCHEMBL6820526 0.83 USP30 (0.49) USP30MEN1KMT2AMTNR1AMTNR1B
SCHEMBL6820477 0.83 USP30 (0.49) USP30MEN1KMT2AMTNR1AMTNR1B

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 9 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 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
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