SCHEMBL7361747

SCHEMBL7361747

CCOC(=O)CC(OCc1ccc(C#N)cc1)c1cccc(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.52
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.39
RAB9A P51151 1/20 0.39
SMPD1 P17405 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
CNR2 P34972 1/20 0.38
MAOB P27338 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7453406 0.89 FFAR1 (0.45) FFAR1PDCD1CD274MRGPRX4RAB9A
SCHEMBL7361912 0.82 FFAR1 (0.53) FFAR1MRGPRX4FFAR4CNR2MAOB
SCHEMBL7453413 0.81 FFAR1 (0.46) FFAR1PDCD1CD274MRGPRX4RAB9A
SCHEMBL7360595 0.78 PDCD1 (0.50) FFAR1PDCD1CD274CNR2
SCHEMBL6329440 0.77 PDCD1 (0.49) FFAR1PDCD1CD274F2F10
SCHEMBL7361748 0.75 FFAR1 (0.46) FFAR1PDCD1CD274MRGPRX4RAB9A
SCHEMBL7360591 0.75 F10 (0.67) F2F10PRSS1
SCHEMBL7360597 0.74 F10 (0.39) FFAR1F2F10PRSS1
SCHEMBL7460104 0.73 EEF2K (0.59) PDCD1CD274CNR2
SCHEMBL17700354 0.73 FFAR1 (0.45) FFAR1F2F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
US-5942544-A α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-24 US disclosed
US-5869483-A KIDNEY DISEASES AMERICAN CYANAMID COMPANY (US) 1999-02-09 US disclosed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 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-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-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed
US-5512563-A TREATING DISEASES CAUSED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-04-30 US disclosed