SCHEMBL6955558

SCHEMBL6955558

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)O)c4ccccc43)cc2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.50
AVPR1A P37288 5/20 0.50
OXTR P30559 2/20 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
SCHEMBL6966646 0.92 AVPR1A (0.56) AVPR2AVPR1AOXTR
SCHEMBL6972223 0.91 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL6965212 0.91 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL6968503 0.89 AVPR2 (0.48) AVPR2AVPR1AOXTR
SCHEMBL6963025 0.89 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL6970615 0.89 AVPR1A (0.48) AVPR2AVPR1A
SCHEMBL6966589 0.89 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL8961719 0.88 AVPR2 (0.47) AVPR2AVPR1AOXTR
SCHEMBL6971151 0.87 AVPR1A (0.56) AVPR2AVPR1AOXTR
SCHEMBL6969281 0.87 AVPR1A (0.51) AVPR2AVPR1A

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