SCHEMBL6971391

SCHEMBL6971391

Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.79
OXTR P30559 2/20 0.79
AVPR1A P37288 2/20 0.79

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
SCHEMBL6970320 0.92 AVPR2 (0.76) AVPR2OXTRAVPR1A
SCHEMBL7351740 0.92 AVPR2 (0.94) AVPR2OXTRAVPR1A
SCHEMBL6965900 0.91 AVPR2 (0.69) AVPR2OXTRAVPR1A
SCHEMBL6967016 0.90 AVPR1A (0.64) AVPR2OXTRAVPR1A
SCHEMBL6962147 0.90 AVPR2 (0.67) AVPR2OXTRAVPR1A
SCHEMBL6971833 0.90 AVPR2 (0.79) AVPR2OXTRAVPR1A
SCHEMBL6963965 0.89 AVPR2 (0.72) AVPR2OXTRAVPR1A
SCHEMBL7351861 0.89 AVPR2 (0.81) AVPR2OXTRAVPR1A
SCHEMBL7351118 0.89 AVPR1A (1.00) AVPR2OXTRAVPR1A
SCHEMBL6972323 0.88 AVPR2 (0.80) AVPR2OXTRAVPR1A

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