SCHEMBL8812468

SCHEMBL8812468

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccc(C)cc3OCCCCC(=C=O)N3CCNCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.37
CCNC P24863 5/20 0.37
CDK8 P49336 5/20 0.37
RECQL P46063 1/20 0.35
AVPR1A P37288 1/20 0.35

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
SCHEMBL8509973 0.92 AVPR2 (0.39) AVPR2RECQLAVPR1A
SCHEMBL7369192 0.91 AVPR2 (0.39) AVPR2CCNCCDK8RECQLAVPR1A
SCHEMBL7371701 0.87 AVPR2 (0.39) AVPR2AVPR1A
SCHEMBL7378099 0.84 L3MBTL1 (0.43) RECQL
SCHEMBL7749486 0.83 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL8813107 0.81 AVPR2 (0.43) AVPR2AVPR1A
SCHEMBL7373910 0.81 AVPR2 (0.41) AVPR2RECQLAVPR1A
SCHEMBL8812285 0.81 RXFP1 (0.35) AVPR2AVPR1A
SCHEMBL7373648 0.81 AVPR2 (0.39) AVPR2RECQLAVPR1A
SCHEMBL7374776 0.80 L3MBTL1 (0.41) RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed