SCHEMBL7338976

SCHEMBL7338976

O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2cccn2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.51
AVPR2 P30518 5/20 0.51
BCHE P06276 1/20 0.48
P2RX4 Q99571 1/20 0.48
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL7332359 0.88 HPGD (0.47) BCHEP2RX4HPGDL3MBTL1ALDH1A1
SCHEMBL7340479 0.82 AVPR1A (0.74) AVPR1AAVPR2
SCHEMBL7320842 0.82 AVPR1A (0.67) AVPR1AAVPR2HPGD
SCHEMBL7332412 0.82 AVPR1A (0.50) AVPR1AAVPR2P2RX4
SCHEMBL6968459 0.77 BCHE (0.56) BCHEP2RX4HPGDL3MBTL1ALDH1A1
SCHEMBL7415990 0.76 AVPR2 (0.50) AVPR1AAVPR2
SCHEMBL7337906 0.75 AVPR1A (0.52) AVPR1AAVPR2BCHEHPGDALDH1A1
SCHEMBL7330482 0.74 HPGD (0.54) AVPR1AAVPR2BCHEP2RX4HPGD
SCHEMBL3044124 0.73 KCNN4 (0.68) AVPR1AAVPR2BCHEP2RX4HPGD
SCHEMBL7335590 0.73 AVPR1A (0.52) AVPR1AAVPR2BCHEP2RX4HPGD

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1056374-C Tricyclic diazepine vasopression antagonists AMERICAN CYANAMID CO (US) 2000-09-13 CN disclosed
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-5889001-A TREATING CONDITIONS WHERE DECREASED VASOPRESSIN LEVELS ARE DESIRED AND DISEASES WITH EXCESS RENAL WATER REABSORPTION AMERICAN CYANAMID COMPANY (US) 1999-03-30 US disclosed
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed
CN-1205335-A Tricyclic diazepine vasopression antagonists AMERICAN CYANAMID CO (US) 1999-01-20 CN disclosed
US-5854237-A Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-29 US disclosed
US-5843944-A Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-01 US disclosed
CN-1039908-C Tricyclic diaza * vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID CO (US) 1998-09-23 CN disclosed
US-5736540-A CONGESTIVE HEART FAILURE AMERICAN CYANAMID COMPANY (US) 1998-04-07 US disclosed
US-5733905-A CONGESTIVE HEART FAILURE; KIDNEY DISORDERS AMERICAN CYANAMID COMPANY (US) 1998-03-31 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
CN-1106812-A Tricyclic diaza * vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID CO (US) 1995-08-16 CN disclosed
EP-0636625-A2 Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1995-02-01 EP disclosed