SCHEMBL8961630

SCHEMBL8961630

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)NC4CN5CCC4CC5)c4ccccc43)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 19/20 0.49
AVPR1A P37288 12/20 0.46
OXTR P30559 1/20 0.46
CYP2C9 P11712 1/20 0.45

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
SCHEMBL8961661 0.86 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL6963025 0.85 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL6964828 0.83 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL8961739 0.82 AVPR2 (0.60) AVPR2AVPR1AOXTR
SCHEMBL6960105 0.82 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL6971296 0.82 AVPR2 (0.65) AVPR2AVPR1AOXTR
SCHEMBL8961730 0.82 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL6968633 0.81 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL6701281 0.81 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL6971154 0.81 AVPR2 (0.54) AVPR2AVPR1AOXTR

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
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