SCHEMBL6971518

SCHEMBL6971518

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)N4CCN(C)CC4)c4ccccc43)cc2OCCCN(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 19/20 0.56
AVPR1A P37288 12/20 0.56
AVPR1B P47901 11/20 0.56

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
SCHEMBL6957855 0.90 AVPR1A (0.54) AVPR2AVPR1AAVPR1B
SCHEMBL6971527 0.88 AVPR2 (0.44) AVPR2AVPR1AAVPR1B
SCHEMBL6971510 0.87 AVPR2 (0.48) AVPR2AVPR1AAVPR1B
SCHEMBL6965585 0.86 AVPR1A (0.51) AVPR2AVPR1AAVPR1B
SCHEMBL6972082 0.86 AVPR1A (0.52) AVPR2AVPR1AAVPR1B
SCHEMBL6964965 0.84 AVPR1A (0.50) AVPR2AVPR1AAVPR1B
SCHEMBL6970609 0.83 AVPR1A (0.54) AVPR2AVPR1AAVPR1B
SCHEMBL8961667 0.83 AVPR2 (0.47) AVPR2AVPR1AAVPR1B
SCHEMBL6701281 0.82 AVPR2 (0.56) AVPR2AVPR1AAVPR1B
SCHEMBL9414294 0.82 AVPR1A (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 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