SCHEMBL4074904

SCHEMBL4074904

Cc1cccc(C(=O)Nc2cccc(OC3CCN(C(=O)Nc4ccc(C(=O)O)cc4)CC3)c2)c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.49
FAAH O00519 2/20 0.49
NTRK1 P04629 1/20 0.49
KCNH2 Q12809 1/20 0.49
NTRK3 Q16288 1/20 0.49
NTRK2 Q16620 1/20 0.49
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMO Q99835 1/20 0.43
APOB P04114 2/20 0.43
MTTP P55157 2/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL3288509 0.95 NTRK1 (0.50) EPHX2NTRK1KCNH2NTRK3NTRK2
SCHEMBL3288520 0.94 NTRK1 (0.49) EPHX2FAAHNTRK1KCNH2NTRK3
SCHEMBL3289872 0.93 NTRK1 (0.51) EPHX2NTRK1KCNH2NTRK3NTRK2
SCHEMBL3293472 0.93 NTRK1 (0.51) EPHX2NTRK1KCNH2NTRK3NTRK2
SCHEMBL3291768 0.93 NTRK1 (0.50) EPHX2NTRK1KCNH2NTRK3NTRK2
SCHEMBL3292493 0.92 POLB (0.51) EPHX2FAAHNTRK1KCNH2NTRK3
SCHEMBL3295229 0.91 NPC1 (0.50) EPHX2NTRK1KCNH2NTRK3NTRK2
SCHEMBL3290110 0.91 NTRK1 (0.48) EPHX2NTRK1KCNH2NTRK3NTRK2
SCHEMBL3290024 0.91 NTRK1 (0.48) EPHX2NTRK1KCNH2NTRK3NTRK2
SCHEMBL3345028 0.90 CFD (0.47) EPHX2NTRK1KCNH2NTRK3NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753721-B1 AROYL-O-PIPERIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES-RELATED PROBLEMS MERCK PATENT GMBH (DE) 2009-08-05 EP claimed