SCHEMBL6970306

SCHEMBL6970306

COc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1-c1ccc(C)cc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.62
OXTR P30559 2/20 0.62
AVPR1A P37288 2/20 0.62

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
SCHEMBL7349028 0.86 AVPR1A (0.76) AVPR2OXTRAVPR1A
SCHEMBL7354363 0.85 AVPR1A (0.74) AVPR2OXTRAVPR1A
SCHEMBL6972323 0.85 AVPR2 (0.80) AVPR2OXTRAVPR1A
SCHEMBL6968771 0.83 AVPR2 (0.61) AVPR2OXTRAVPR1A
SCHEMBL6959177 0.82 AVPR2 (0.62) AVPR2OXTRAVPR1A
SCHEMBL6955045 0.82 AVPR2 (0.85) AVPR2OXTRAVPR1A
SCHEMBL6971547 0.80 AVPR2 (0.76) AVPR2OXTRAVPR1A
SCHEMBL7351740 0.80 AVPR2 (0.94) AVPR2OXTRAVPR1A
SCHEMBL7351861 0.80 AVPR2 (0.81) AVPR2OXTRAVPR1A
SCHEMBL7355637 0.79 AVPR1A (0.77) 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