SCHEMBL6965406

SCHEMBL6965406

Nc1ccc(C(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.92
AVPR1A P37288 6/20 0.92
CA1 P00915 1/20 0.71
CA2 P00918 1/20 0.71
CA7 P43166 1/20 0.71
CA9 Q16790 1/20 0.71
CA14 Q9ULX7 1/20 0.71
ALDH1A1 P00352 5/20 0.69
TSHR P16473 3/20 0.69
OXTR P30559 2/20 0.68
LMNA P02545 2/20 0.64
HPGD P15428 2/20 0.64
MAPK1 P28482 1/20 0.64
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
GAA P10253 1/20 0.64
ALOX15 P16050 1/20 0.64
CASP1 P29466 1/20 0.64
RECQL P46063 1/20 0.64

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
SCHEMBL7347092 0.96 AVPR2 (1.00) AVPR2AVPR1ACA1CA2CA7
SCHEMBL7357300 0.94 AVPR2 (0.97) AVPR2AVPR1ACA1CA2CA7
SCHEMBL7348349 0.88 AVPR2 (0.76) AVPR2AVPR1ACA1CA2CA7
SCHEMBL6198498 0.88 ALDH1A1 (0.81) AVPR2AVPR1ACA1CA2CA7
SCHEMBL29463754 0.88 ALDH1A1 (0.81) AVPR2AVPR1ACA1CA2CA7
SCHEMBL27310580 0.87 AVPR2 (0.70) AVPR2AVPR1ACA1CA2CA7
SCHEMBL4493929 0.87 ALDH1A1 (0.71) AVPR2AVPR1ACA1CA2CA7
SCHEMBL6955225 0.86 AVPR2 (0.73) AVPR2AVPR1ACA1CA2CA7
SCHEMBL7349843 0.85 AVPR2 (0.72) AVPR2AVPR1ACA1CA2CA7
SCHEMBL3456488 0.85 HPGD (0.83) AVPR2AVPR1ACA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
CN-1058710-C New benzamide derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 2000-11-22 CN disclosed
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
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
CN-1107146-A A process for preparing a composition containing benzoheterocycles OTSUKA PHARMA CO LTD (JP) 1995-08-23 CN disclosed
CN-1098406-A New benzamide derivatives and method for making thereof and the pharmaceutical composition that contains them FUJISAWA PHARMACEUTICAL CO (JP) 1995-02-08 CN disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 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
CN-1051038-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1991-05-01 CN disclosed