SCHEMBL6957855

SCHEMBL6957855

COc1cc(C(=O)N2CCC(=O)N(CC(=O)N3CCN(C)CC3)c3ccccc32)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.54
AVPR1B P47901 10/20 0.54
AVPR2 P30518 16/20 0.53
MTTP P55157 2/20 0.42
CCKBR P32239 1/20 0.42

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
SCHEMBL6972082 0.96 AVPR1A (0.52) AVPR1AAVPR1BAVPR2MTTPCCKBR
SCHEMBL6964965 0.93 AVPR1A (0.50) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL9414294 0.92 AVPR1A (0.47) AVPR1AAVPR1BAVPR2CCKBR
SCHEMBL6957577 0.92 AVPR1A (0.49) AVPR1AAVPR1BAVPR2CCKBR
SCHEMBL6965585 0.91 AVPR1A (0.51) AVPR1AAVPR1BAVPR2
SCHEMBL6970821 0.90 AVPR1A (0.57) AVPR1AAVPR1BAVPR2MTTP
SCHEMBL6971518 0.90 AVPR2 (0.56) AVPR1AAVPR1BAVPR2
SCHEMBL6971510 0.89 AVPR2 (0.48) AVPR1AAVPR1BAVPR2
SCHEMBL6967087 0.89 AVPR1A (0.47) AVPR1AAVPR1BAVPR2CCKBR
SCHEMBL6968185 0.88 AVPR1A (0.54) AVPR1AAVPR1BAVPR2MTTP

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 2 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
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed