SCHEMBL7337906

SCHEMBL7337906

O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2cccn2Cc2sccc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.52
AVPR2 P30518 7/20 0.52
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.42
BCHE P06276 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
SCHEMBL7331231 0.84 AVPR1A (0.53) AVPR1AAVPR2
SCHEMBL7333960 0.83 AVPR1A (0.51) AVPR1AAVPR2ALDH1A1SMN1; SMN2HPGD
SCHEMBL7340479 0.82 AVPR1A (0.74) AVPR1AAVPR2
SCHEMBL7338976 0.75 AVPR1A (0.51) AVPR1AAVPR2ALDH1A1HPGDBCHE
SCHEMBL7330985 0.75 AVPR1A (0.51) AVPR1AAVPR2HPGD
SCHEMBL8318427 0.74 AVPR1A (0.52) AVPR1AAVPR2
SCHEMBL8317244 0.74 AVPR1A (0.52) AVPR1AAVPR2
SCHEMBL8314290 0.74 AVPR1A (0.54) AVPR1AAVPR2
SCHEMBL8319414 0.74 AVPR1A (0.54) AVPR1AAVPR2
SCHEMBL8318009 0.74 AVPR1A (0.65) 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