SCHEMBL7361441

SCHEMBL7361441

CCOC(=O)CN(CCc1ccccc1)c1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
KCNN4 O15554 1/20 0.44
KCNA5 P22460 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.42
ALOX5 P09917 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 1/20 0.41
PPARG P37231 1/20 0.41
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL7359452 0.93 PDCD1 (0.44) FFAR1PDCD1CD274KCNN4KCNA5
SCHEMBL7464051 0.90 PDCD1 (0.42) FFAR1PDCD1CD274KCNN4KCNA5
SCHEMBL7362625 0.87 KCNH2 (0.46) PDCD1CD274KDM4EKMT2AMEN1
SCHEMBL8114479 0.84 TSPO (0.48) FFAR1FFAR4KMT2AMAOB
SCHEMBL7368439 0.83 PDCD1 (0.40) FFAR1PDCD1CD274KCNN4KCNA5
SCHEMBL5886103 0.82 PDCD1 (0.46) PDCD1CD274KCNN4KCNA5KDM4E
SCHEMBL8119330 0.82 PDCD1 (0.44) FFAR1PDCD1CD274KCNN4KCNA5
SCHEMBL8104782 0.81 PDCD1 (0.46) PDCD1CD274KCNN4KCNA5KDM4E
SCHEMBL7360601 0.80 KCNH2 (0.44) PDCD1CD274KDM4EKMT2AMEN1
SCHEMBL21456140 0.79 PDCD1 (0.50) PDCD1CD274KCNN4KCNA5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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