SCHEMBL7330985

SCHEMBL7330985

O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2cccn2Cc2ccoc21

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.51
AVPR2 P30518 7/20 0.51
HPGD P15428 1/20 0.44
P2RX4 Q99571 1/20 0.38

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
SCHEMBL7340479 0.81 AVPR1A (0.74) AVPR1AAVPR2
SCHEMBL7333960 0.78 AVPR1A (0.51) AVPR1AAVPR2HPGD
SCHEMBL8313198 0.75 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL7337906 0.75 AVPR1A (0.52) AVPR1AAVPR2HPGD
SCHEMBL7337827 0.74 AVPR2 (0.59) AVPR1AAVPR2
SCHEMBL8316944 0.74 AVPR2 (0.61) AVPR1AAVPR2
SCHEMBL8319613 0.74 AVPR1A (0.41) AVPR1AAVPR2
SCHEMBL8313829 0.73 AVPR2 (0.56) AVPR1AAVPR2
SCHEMBL8316318 0.73 AVPR2 (0.64) AVPR1AAVPR2
SCHEMBL8315353 0.73 AVPR2 (0.56) 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 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