SCHEMBL7339252

SCHEMBL7339252

CCOC(=O)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.49
AVPR1A P37288 3/20 0.41
OXTR P30559 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8317560 0.91 AVPR2 (0.43) AVPR2AVPR1AMAPT
SCHEMBL27405027 0.87 AVPR2 (0.61) AVPR2AVPR1AMEN1MAPTKMT2A
SCHEMBL7332088 0.86 AVPR2 (0.50) AVPR2AVPR1AOXTRMEN1MAPT
SCHEMBL7339596 0.83 AVPR2 (0.49) AVPR2AVPR1AOXTRMEN1MAPT
SCHEMBL8628737 0.83 MEN1 (0.45) AVPR2AVPR1AMEN1MAPTKMT2A
SCHEMBL7340153 0.79 AVPR1A (0.43) AVPR2AVPR1AMEN1MAPTKMT2A
SCHEMBL8315803 0.77 AVPR2 (0.46) AVPR2AVPR1AOXTRMAPT
SCHEMBL7333306 0.77 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL15216916 0.76 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL7333536 0.75 AVPR1A (0.45) 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 6 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
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