SCHEMBL7345813

SCHEMBL7345813

O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(C(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.65
AVPR2 P30518 1/20 0.65
AVPR1A P37288 1/20 0.65

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
SCHEMBL7350463 0.92
SCHEMBL7357183 0.91 RAB9A (0.65) RAB9AAVPR2AVPR1A
SCHEMBL7352530 0.89 AVPR1A (0.69) AVPR2AVPR1A
SCHEMBL7346570 0.88 AVPR1A (0.67) AVPR2AVPR1A
SCHEMBL7345982 0.86 RAB9A (0.78) RAB9A
SCHEMBL7345828 0.86
SCHEMBL7347848 0.85 RAB9A (0.72) RAB9A
SCHEMBL7353086 0.83 AVPR1A (0.66) AVPR2AVPR1A
SCHEMBL27423073 0.83 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL7348778 0.82 AVPR1A (0.76) RAB9AAVPR2AVPR1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1048484-C A process for preparing a composition containing benzoheterocycles OTSUKA PHARMA CO LTD (JP) 2000-01-19 CN disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed