SCHEMBL7369639

SCHEMBL7369639

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3O/C=C/CCCC(=O)N3CCN(C)CC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.40
AVPR1A P37288 2/20 0.40
AVPR1B P47901 2/20 0.40
GAA P10253 1/20 0.37

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
SCHEMBL7369642 1.00 AVPR2 (0.40) AVPR2AVPR1AAVPR1BGAA
SCHEMBL7370995 0.88 AVPR2 (0.48) AVPR2AVPR1AAVPR1BGAA
SCHEMBL7372097 0.88 AVPR2 (0.46) AVPR2AVPR1AAVPR1BGAA
SCHEMBL7372942 0.87 AVPR2 (0.46) AVPR2AVPR1AAVPR1BGAA
SCHEMBL7367137 0.87 AVPR2 (0.41) AVPR2AVPR1AAVPR1B
SCHEMBL7751053 0.87 AVPR2 (0.46) AVPR2AVPR1AAVPR1BGAA
SCHEMBL7748312 0.87 AVPR2 (0.41) AVPR2AVPR1AAVPR1B
SCHEMBL7367134 0.87 AVPR2 (0.41) AVPR2AVPR1AAVPR1B
SCHEMBL7377178 0.85 RECQL (0.45) AVPR2GAA
SCHEMBL7375061 0.84 AVPR2 (0.41) AVPR2AVPR1AAVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed