SCHEMBL7359452

SCHEMBL7359452

CCOC(=O)CN(CCc1ccc(C#N)cc1)c1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
GFER P55789 1/20 0.43
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 1/20 0.41
KMT2A Q03164 1/20 0.39
KCNN4 O15554 1/20 0.39
KCNA5 P22460 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PPARG P37231 1/20 0.39
GAA P10253 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CNR2 P34972 1/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 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
SCHEMBL7361441 0.93 FFAR1 (0.44) PDCD1CD274GFERFFAR1FFAR4
SCHEMBL7464051 0.92 PDCD1 (0.42) PDCD1CD274GFERFFAR1FFAR4
SCHEMBL7362625 0.89 KCNH2 (0.46) PDCD1CD274KMT2AKDM4EMAOB
SCHEMBL7368439 0.85 PDCD1 (0.40) PDCD1CD274GFERFFAR1FFAR4
SCHEMBL8119330 0.84 PDCD1 (0.44) PDCD1CD274GFERFFAR1KMT2A
SCHEMBL5886103 0.82 PDCD1 (0.46) PDCD1CD274GFERKMT2AKCNN4
SCHEMBL7360601 0.82 KCNH2 (0.44) PDCD1CD274KMT2AKDM4EPPARG
SCHEMBL8104782 0.81 PDCD1 (0.46) PDCD1CD274GFERKMT2AKCNN4
SCHEMBL7365136 0.80 F2 (0.42) PDCD1CD274GFERKMT2AKCNN4
SCHEMBL21456140 0.79 PDCD1 (0.50) PDCD1CD274KMT2AKCNN4KCNA5

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 3 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
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed