SCHEMBL6960423

SCHEMBL6960423

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

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.58
AVPR1A P37288 7/20 0.53
AVPR1B P47901 1/20 0.53
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 0.95 AVPR2 (0.63) AVPR2AVPR1AAVPR1B
SCHEMBL6970491 0.92 AVPR2 (0.61) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6960675 0.90 AVPR2 (0.53) AVPR2AVPR1AAVPR1B
SCHEMBL7079719 0.88 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL6968495 0.87 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL6971717 0.87 AVPR2 (0.66) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6958544 0.86 AVPR2 (0.57) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6970699 0.86 AVPR2 (0.62) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6959966 0.85 AVPR2 (0.58) AVPR2AVPR1AAVPR1B
SCHEMBL6965665 0.84 AVPR2 (0.53) AVPR2AVPR1AAVPR1BOXTR

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