SCHEMBL6971547

SCHEMBL6971547

COc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.76
AVPR1A P37288 3/20 0.76
OXTR P30559 2/20 0.76
ALDH1A1 P00352 1/20 0.69
TSHR P16473 1/20 0.69
MAPT P10636 1/20 0.63

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
SCHEMBL6972323 0.90 AVPR2 (0.80) AVPR2AVPR1AOXTR
SCHEMBL6959177 0.89 AVPR2 (0.62) AVPR2AVPR1AOXTRALDH1A1TSHR
SCHEMBL6967676 0.89 AVPR2 (0.81) AVPR2AVPR1AOXTR
SCHEMBL7354099 0.88 ALDH1A1 (0.80) ALDH1A1TSHRMAPT
SCHEMBL8961653 0.88 AVPR2 (0.80) AVPR2AVPR1AOXTR
SCHEMBL6968619 0.87 AVPR2 (0.79) AVPR2AVPR1AOXTR
SCHEMBL6955045 0.87 AVPR2 (0.85) AVPR2AVPR1AOXTR
SCHEMBL6963965 0.87 AVPR2 (0.72) AVPR2AVPR1AOXTR
SCHEMBL6958657 0.85 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL6969873 0.85 AVPR2 (0.73) 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 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