SCHEMBL6970066

SCHEMBL6970066

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC=C(CC(=O)N4CCN(C)CC4)c4ccccc43)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.55
AVPR1A P37288 5/20 0.50
OXTR P30559 1/20 0.50
AVPR1B P47901 2/20 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
SCHEMBL6965944 0.88 AVPR2 (0.57) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6964360 0.85 AVPR2 (0.60) AVPR2AVPR1AOXTR
SCHEMBL6971545 0.82 AVPR2 (0.68) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6701281 0.80 AVPR2 (0.56) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8961671 0.79 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8961674 0.79 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6965665 0.79 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6965024 0.79 AVPR2 (0.57) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6966950 0.79 AVPR2 (0.52) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6970694 0.79 AVPR2 (0.52) AVPR2AVPR1AOXTRAVPR1B

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