SCHEMBL7350599

SCHEMBL7350599

CC1Cc2ccccc2N(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.52
AVPR1A P37288 1/20 0.52
RAB9A P51151 1/20 0.51
HSD17B3 P37058 1/20 0.50

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
SCHEMBL7344348 0.88 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL7352697 0.88 KMT2A (0.56) RAB9A
SCHEMBL7344079 0.87 AVPR2 (0.66) AVPR2AVPR1A
SCHEMBL7346250 0.85 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL7349331 0.82 TSHR (0.52) AVPR1A
SCHEMBL7352202 0.80 AVPR2 (0.56) AVPR2AVPR1ARAB9AHSD17B3
SCHEMBL8560873 0.77 ACHE (0.60) AVPR2AVPR1ARAB9AHSD17B3
SCHEMBL7345982 0.77 RAB9A (0.78) RAB9A
SCHEMBL13239380 0.77 AVPR2 (0.48) AVPR2AVPR1ARAB9A
SCHEMBL7344877 0.76 CPT1A (0.47) AVPR2AVPR1A

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
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
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed