SCHEMBL7340968

SCHEMBL7340968

O=C(Cc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1Cl)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.46
CD274 Q9NZQ7 2/20 0.46
AVPR2 P30518 3/20 0.43
KCNN4 O15554 1/20 0.42
KCNA3 P22001 1/20 0.42
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AVPR1A P37288 2/20 0.39
ROCK2 O75116 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
SCHEMBL7331308 0.88 AVPR2 (0.54) PDCD1CD274AVPR2AVPR1A
SCHEMBL7340964 0.88 KCNJ5 (0.48) KCNJ5KCNJ3ROCK2
SCHEMBL7340205 0.82 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL7334954 0.80 AVPR2 (0.43) AVPR2KCNN4KCNA3AVPR1A
SCHEMBL7331304 0.80 KMT2A (0.48) AVPR2KCNN4KCNA3AVPR1AROCK2
SCHEMBL8600947 0.79 MAPT (0.43) AVPR2MAPTHSD17B10
SCHEMBL8561675 0.78 NAMPT (0.50) KCNJ5KCNJ3AVPR1A
SCHEMBL8562914 0.77 AVPR2 (0.50) AVPR2MAPTAVPR1A
SCHEMBL8334028 0.76 NAMPT (0.44) KCNN4KCNA3AVPR1A
SCHEMBL8556372 0.76 KCNJ5 (0.51) AVPR2KCNJ5KCNJ3AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843952-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-01 US claimed
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
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