SCHEMBL7361748

SCHEMBL7361748

CCOC(=O)C(Cc1cccc(C#N)c1)OCc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
MAOB P27338 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
FOLH1 Q04609 1/20 0.42
POLB P06746 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
RAB9A P51151 1/20 0.40
NLRP3 Q96P20 1/20 0.40
SMPD1 P17405 1/20 0.40
GLA P06280 1/20 0.40
GPR34 Q9UPC5 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 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
SCHEMBL7361915 0.83 NLRP3 (0.48) FFAR1MAOBFFAR4FOLH1NLRP3
SCHEMBL7453413 0.83 FFAR1 (0.46) FFAR1MAOBPDCD1CD274FFAR4
SCHEMBL2673187 0.80 PDCD1 (0.49) FFAR1MAOBPDCD1CD274FFAR4
SCHEMBL23139004 0.79 FFAR1 (0.49) FFAR1MAOBPDCD1CD274FFAR4
SCHEMBL7360596 0.79 FFAR1 (0.49) FFAR1MAOBPDCD1CD274FFAR4
SCHEMBL7404836 0.78 DPP7 (0.51) FFAR1MAOBPDCD1CD274FFAR4
SCHEMBL7404834 0.78 DPP7 (0.51) FFAR1MAOBPDCD1CD274FFAR4
SCHEMBL7403825 0.78 DPP7 (0.51) FFAR1MAOBPDCD1CD274FFAR4
Hydrochloric Acid SCHEMBL7403820 0.77 DPP7 (0.50) FFAR1MAOBPDCD1CD274FFAR4
SCHEMBL10707875 0.77 PDCD1 (0.46) FFAR1MAOBPDCD1CD274FOLH1

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