SCHEMBL7344622

SCHEMBL7344622

CC(=O)Oc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL7350530 0.90 TSHR (0.77) TSHRSMN1; SMN2
SCHEMBL7346451 0.88 TSHR (0.60) TSHRSMN1; SMN2
SCHEMBL7353560 0.87 TSHR (0.72) AVPR1ATSHRSMN1; SMN2
SCHEMBL7348562 0.86 TSHR (0.70) AVPR1ATSHRSMN1; SMN2
SCHEMBL7353054 0.85 AVPR1A (0.62) AVPR1A
SCHEMBL7352763 0.84 RAB9A (0.65)
SCHEMBL7345982 0.83 RAB9A (0.78)
SCHEMBL7345828 0.83
SCHEMBL7348119 0.83 RAB9A (0.64)
SCHEMBL7345753 0.83 RAB9A (0.64)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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