SCHEMBL6965212

SCHEMBL6965212

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3C)cc2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.53
AVPR1A P37288 4/20 0.47
OXTR P30559 2/20 0.44

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
SCHEMBL6970160 0.93 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL6964926 0.92 AVPR2 (0.52) AVPR2AVPR1AOXTR
SCHEMBL6955558 0.91 AVPR2 (0.50) AVPR2AVPR1AOXTR
SCHEMBL6971296 0.90 AVPR2 (0.65) AVPR2AVPR1AOXTR
SCHEMBL6967699 0.90 AVPR1A (0.44) AVPR2AVPR1A
SCHEMBL6965260 0.89 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL6960384 0.89 AVPR2 (0.43) AVPR2AVPR1A
SCHEMBL6970232 0.88 AVPR1A (0.47) AVPR2AVPR1A
SCHEMBL6970788 0.88 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL6973411 0.88 AVPR2 (0.61) 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
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