SCHEMBL7369192

SCHEMBL7369192

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccc(C)cc3OCCCCCC(=O)N3CCNCC3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.39
AVPR1A P37288 4/20 0.39
AVPR1B P47901 4/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
CCNC P24863 5/20 0.39
CDK8 P49336 5/20 0.39
RECQL P46063 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
SCHEMBL7749486 0.92 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL8812468 0.91 AVPR2 (0.37) AVPR2AVPR1ACCNCCDK8RECQL
SCHEMBL7373648 0.90 AVPR2 (0.39) AVPR2AVPR1AAVPR1BRECQL
SCHEMBL7378099 0.87 L3MBTL1 (0.43) RECQL
SCHEMBL7371623 0.87 AVPR2 (0.45) AVPR2AVPR1AAVPR1B
SCHEMBL7371692 0.86 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL7751053 0.86 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL7372942 0.86 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL7372097 0.85 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL7377335 0.84 AVPR2 (0.47) 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 4 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
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed