SCHEMBL7333364

SCHEMBL7333364

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3nncn3-c3ccccc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.61
AVPR2 P30518 6/20 0.61
OXTR P30559 1/20 0.61

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
SCHEMBL8318225 0.94 AVPR1A (0.53) AVPR1AAVPR2OXTR
SCHEMBL8311577 0.92 AVPR1A (0.51) AVPR1AAVPR2OXTR
SCHEMBL8317216 0.91 AVPR1A (0.49) AVPR1AAVPR2OXTR
SCHEMBL8314230 0.90 AVPR1A (0.48) AVPR1AAVPR2OXTR
SCHEMBL8316356 0.90 AVPR1A (0.49) AVPR1AAVPR2OXTR
SCHEMBL8315532 0.89 AVPR1A (0.55) AVPR1AAVPR2OXTR
SCHEMBL8315606 0.88 AVPR1A (0.47) AVPR1AAVPR2OXTR
SCHEMBL8317702 0.88 AVPR2 (0.52) AVPR1AAVPR2OXTR
SCHEMBL8317072 0.87 AVPR1A (0.50) AVPR1AAVPR2OXTR
SCHEMBL8318538 0.86 LMNA (0.46) AVPR1AAVPR2OXTR

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
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
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