SCHEMBL7342127

SCHEMBL7342127

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccnn3Cc3ccccc32)c(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 19/20 0.77
AVPR1A P37288 18/20 0.77
OXTR P30559 3/20 0.77

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
SCHEMBL7331266 0.91 AVPR2 (0.75) AVPR2AVPR1AOXTR
SCHEMBL8406431 0.89 AVPR2 (0.63) AVPR2AVPR1AOXTR
Lixivaptan SCHEMBL29387791 0.87 AVPR2 (1.00) AVPR2AVPR1AOXTR
Lixivaptan SCHEMBL29373157 0.87 AVPR2 (1.00) AVPR2AVPR1AOXTR
Lixivaptan SCHEMBL1649340 0.87 AVPR2 (1.00) AVPR2AVPR1AOXTR
Lixivaptan SCHEMBL29377065 0.87 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL7333030 0.86 AVPR2 (0.74) AVPR2AVPR1AOXTR
SCHEMBL6997117 0.84 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL5738936 0.83 AVPR2 (0.76) AVPR2AVPR1A
SCHEMBL6993128 0.82 AVPR2 (0.84) 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 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