SCHEMBL7339792

SCHEMBL7339792

CN(C(=O)C1CC=CCC1)c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.56
AVPR2 P30518 7/20 0.56

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
SCHEMBL7339819 0.87 AVPR1A (0.60) AVPR1AAVPR2
SCHEMBL8944480 0.82 AVPR2 (0.59) AVPR1AAVPR2
SCHEMBL7339005 0.78 AVPR1A (0.60) AVPR1AAVPR2
SCHEMBL7337849 0.78 AVPR1A (0.57) AVPR1AAVPR2
SCHEMBL7335414 0.77 AVPR1A (0.64) AVPR1AAVPR2
SCHEMBL7337622 0.77 AVPR1A (0.66) AVPR1AAVPR2
SCHEMBL7341924 0.76 AVPR1A (0.57) AVPR1AAVPR2
SCHEMBL7332334 0.75 AVPR1A (0.66) AVPR1AAVPR2
SCHEMBL6624843 0.75 AVPR1A (0.77) AVPR1AAVPR2
SCHEMBL7331839 0.75 AVPR1A (0.60) AVPR1AAVPR2

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
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
US-5968937-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
US-5624923-A UROGENITAL AND CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-04-29 US disclosed
US-5516774-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
EP-0636625-A2 Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1995-02-01 EP disclosed