SCHEMBL6964067

SCHEMBL6964067

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3c4ccccc4N(CC(=O)N4CCN(C)CC4)C(=O)CC3(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.47
AVPR1A P37288 6/20 0.43
AVPR1B P47901 1/20 0.43
OXTR P30559 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
SCHEMBL6965609 0.88 AVPR2 (0.48) AVPR2AVPR1AOXTR
SCHEMBL6965665 0.86 AVPR2 (0.53) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6701281 0.85 AVPR2 (0.56) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6971564 0.85 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL6970484 0.84 AVPR2 (0.55) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6964840 0.84 AVPR2 (0.47) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6972071 0.83 AVPR2 (0.54) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6966950 0.82 AVPR2 (0.52) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6959290 0.81 AVPR2 (0.52) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6970694 0.81 AVPR2 (0.52) 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