SCHEMBL7339773

SCHEMBL7339773

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(CN(C)C)n3Cc3ccccc32)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.75
AVPR1A P37288 12/20 0.70
OXTR P30559 3/20 0.70

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
SCHEMBL7335779 0.94 AVPR2 (0.77) AVPR2AVPR1AOXTR
SCHEMBL7341071 0.94 AVPR2 (0.79) AVPR2AVPR1AOXTR
SCHEMBL7333369 0.93 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL7341035 0.92 AVPR2 (0.81) AVPR2AVPR1AOXTR
SCHEMBL7339626 0.92 AVPR2 (0.71) AVPR2AVPR1AOXTR
SCHEMBL7338509 0.91 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL7334759 0.89 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL6993636 0.87 AVPR2 (0.84) AVPR2AVPR1AOXTR
SCHEMBL6997117 0.86 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL7341237 0.85 AVPR2 (0.71) AVPR2AVPR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP claimed
US-5624923-A UROGENITAL AND CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-04-29 US claimed
US-5968930-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed
US-5624923-A UROGENITAL AND CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-04-29 US disclosed