SCHEMBL7079719

SCHEMBL7079719

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CC(=O)N(CCCN)c4ccccc43)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.56
AVPR1A P37288 4/20 0.49
OXTR P30559 1/20 0.47

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
SCHEMBL6972489 0.90 AVPR2 (0.63) AVPR2AVPR1A
SCHEMBL8961668 0.89 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL6960423 0.88 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL6968495 0.87 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL6965665 0.84 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL6961373 0.83 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL6960105 0.83 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL6959609 0.83 AVPR2 (0.50) AVPR2AVPR1AOXTR
SCHEMBL6971717 0.82 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL6966169 0.82 AVPR2 (0.57) AVPR2AVPR1AOXTR

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
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed