SCHEMBL7330482

SCHEMBL7330482

O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
BCHE P06276 1/20 0.50
P2RX4 Q99571 1/20 0.50
AVPR2 P30518 1/20 0.50
AVPR1A P37288 1/20 0.50
KCNN4 O15554 1/20 0.49
KCNA3 P22001 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL8562104 0.87 HPGD (0.58) HPGDL3MBTL1MAPTALDH1A1MEN1
SCHEMBL3044124 0.86 KCNN4 (0.68) HPGDBCHEP2RX4AVPR2AVPR1A
SCHEMBL8559583 0.81 BCHE (0.67) HPGDBCHEP2RX4AVPR2AVPR1A
SCHEMBL7341183 0.81 AVPR2 (0.57) HPGDP2RX4AVPR2AVPR1AKCNN4
SCHEMBL6965644 0.78 SMN1; SMN2 (0.44) HPGDBCHEKCNN4KCNA3L3MBTL1
SCHEMBL7352575 0.78 ALDH1A1 (0.56) HPGDBCHEP2RX4L3MBTL1MAPT
SCHEMBL14509685 0.77 HPGD (0.47) HPGDBCHEP2RX4AVPR2AVPR1A
SCHEMBL6990464 0.77 ALDH1A1 (0.52) HPGDBCHEP2RX4L3MBTL1MAPT
SCHEMBL7340479 0.77 AVPR1A (0.74) AVPR2AVPR1A
SCHEMBL7352388 0.76 ALDH1A1 (0.69) AVPR2AVPR1AL3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1064354-C Antimicrobial 5- (N-heterosubstituted amino) quinolones and pharmaceutical compositions AMERICAN CYANAMID CO (US) 2001-04-11 CN disclosed
US-5869483-A KIDNEY DISEASES AMERICAN CYANAMID COMPANY (US) 1999-02-09 US disclosed
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
US-5854236-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-29 US disclosed
US-5843952-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-01 US disclosed
US-5834461-A TREATING CONGESTIVE HEART FAILURE AMERICAN CYANAMID COMPANY (US) 1998-11-10 US disclosed
US-5786353-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-07-28 US disclosed
US-5760031-A KIDNEY DISEASES AMERICAN CYANAMID COMPANY (US) 1998-06-02 US disclosed
US-5747487-A N-(4-((4,5-DIHYDRO-6H-THIAZOL(5,4-D)(1)BENZAZEPIN-6-YL) -CARBONYL)PHENYL)BENZAMIDES; DISEASES CHARATERIZED BY EXCESS RENAL ABSORPTION OF WATER, E.G. CONGESTIVE HEART DISEASE, HYERTENSION; OXYTOCIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1998-05-05 US disclosed
US-5739128-A ADMINISTERING FOR TREATMENT OF DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-04-14 US disclosed
US-5736538-A TREATS IN MAMMAL THE DISEASE CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER, IS CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, HYPONATREMIA, CORONARY AND RENAL VASOSPASM, CARDIAC ISCHEMIA, LIVER CIRRHOSIS AND BRAIN EDEMA AMERICAN CYANAMID COMPANY (US) 1998-04-07 US disclosed
WO-1997047624-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO disclosed
WO-1997047625-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO disclosed
US-5693635-A TREATMENT OF DISEASES CHARACTERIZED BY EXCESS RENAL ABSORPTION OF WATER; CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME AMERICAN CYANAMID COMPANY (US) 1997-12-02 US disclosed
US-5686445-A Pyridobenzoxazepine and pyridobenzothiazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-11-11 US disclosed
US-5512563-A TREATING DISEASES CAUSED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-04-30 US disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed