SCHEMBL7361912

SCHEMBL7361912

COC(=O)CC(OCc1ccccc1)c1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.53
KCNA5 P22460 2/20 0.46
CNR1 P21554 3/20 0.43
LMNA P02545 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
CNR2 P34972 2/20 0.42
GPR34 Q9UPC5 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41
PIN1 Q13526 1/20 0.41
MAOB P27338 1/20 0.41
HTT P42858 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
PPIA P62937 1/20 0.40

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
SCHEMBL7527410 0.82 FFAR1 (0.48) FFAR1CNR1LMNAFFAR4CNR2
SCHEMBL7361747 0.82 FFAR1 (0.52) FFAR1FFAR4CNR2MAOBHTT
Ethylene Glycol SCHEMBL27959589 0.80 ABCB1 (0.43) FFAR1KCNA5LMNAMAOB
SCHEMBL5089141 0.78 FFAR1 (0.48) FFAR1CNR1LMNAFFAR4CNR2
SCHEMBL6288702 0.77 KCNA5 (0.53) FFAR1KCNA5CNR1CNR2GPR139
Hydrochloric Acid SCHEMBL5098915 0.77 FFAR1 (0.47) FFAR1CNR1LMNAFFAR4CNR2
SCHEMBL24387800 0.76 KCNA5 (0.52) FFAR1KCNA5CNR1CNR2GPR139
SCHEMBL7363315 0.75 F10 (0.60) FFAR1KCNA5FFAR4
SCHEMBL11687261 0.75 FFAR1 (0.45) FFAR1CNR1LMNAFFAR4CNR2
SCHEMBL7361915 0.74 NLRP3 (0.48) FFAR1LMNAFFAR4GPR34PIN1

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
US-5942544-A α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-24 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
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed