SCHEMBL6960675

SCHEMBL6960675

Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CC(=O)N(CCN(C)C)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.53
AVPR1A P37288 5/20 0.49
AVPR1B P47901 1/20 0.49

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
SCHEMBL6959966 0.95 AVPR2 (0.58) AVPR2AVPR1AAVPR1B
SCHEMBL6968625 0.91 AVPR2 (0.56) AVPR2AVPR1AAVPR1B
SCHEMBL6960423 0.90 AVPR2 (0.58) AVPR2AVPR1AAVPR1B
SCHEMBL6968029 0.86 AVPR2 (0.61) AVPR2AVPR1AAVPR1B
SCHEMBL6969180 0.86 AVPR2 (0.58) AVPR2AVPR1AAVPR1B
SCHEMBL6972489 0.85 AVPR2 (0.63) AVPR2AVPR1AAVPR1B
SCHEMBL6968531 0.85 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL6970491 0.81 AVPR2 (0.61) AVPR2AVPR1AAVPR1B
SCHEMBL6966031 0.80 AVPR2 (0.56) AVPR2AVPR1AAVPR1B
SCHEMBL6965498 0.80 AVPR2 (0.49) 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