SCHEMBL7339277

SCHEMBL7339277

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.83
AVPR1A P37288 9/20 0.83
OXTR P30559 1/20 0.59

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
SCHEMBL8314151 0.94 AVPR2 (0.77) AVPR2AVPR1A
SCHEMBL8314080 0.93 AVPR2 (0.78) AVPR2AVPR1AOXTR
SCHEMBL8319275 0.92 AVPR2 (0.85) AVPR2AVPR1AOXTR
SCHEMBL7340028 0.92 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL8312708 0.92 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL8316016 0.91 AVPR2 (0.89) AVPR2AVPR1AOXTR
SCHEMBL8317025 0.91 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL8317862 0.91 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8315230 0.89 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL7331851 0.89 AVPR2 (0.72) 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 4 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-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