SCHEMBL7340719

SCHEMBL7340719

O=C1c2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2)CCC1Br

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
BCHE P06276 1/20 0.44
P2RX4 Q99571 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.42
STING1 Q86WV6 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD11B1 P28845 1/20 0.41
MGLL Q99685 1/20 0.41
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL1495850 0.85 ALDH1A1 (0.49) HTTLMNAHPGDALDH1A1KMT2A
SCHEMBL5549168 0.81 BRD4 (0.47) HPGDALDH1A1
SCHEMBL7352575 0.80 ALDH1A1 (0.56) HTTBCHEP2RX4LMNAHPGD
SCHEMBL6990464 0.79 ALDH1A1 (0.52) HTTBCHEP2RX4LMNAHPGD
SCHEMBL7345718 0.78 ALDH1A1 (0.49) HTTBCHEP2RX4LMNAHPGD
SCHEMBL7349991 0.77 L3MBTL1 (0.46) HTTBCHEP2RX4LMNAHPGD
SCHEMBL7348630 0.77 L3MBTL1 (0.46) HTTBCHEP2RX4HPGDALDH1A1
SCHEMBL8562104 0.76 HPGD (0.58) HTTLMNAHPGDALDH1A1L3MBTL1
SCHEMBL6968459 0.76 BCHE (0.56) HTTBCHEP2RX4LMNAHPGD
SCHEMBL7350564 0.75 HTT (0.47) HTTBCHEP2RX4LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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