SCHEMBL4078615

SCHEMBL4078615

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
APOB P04114 6/20 0.43
MTTP P55157 6/20 0.43
NTRK1 P04629 1/20 0.43
KCNH2 Q12809 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
SMO Q99835 2/20 0.42
FAAH O00519 1/20 0.42
CFD P00746 1/20 0.41
KLK7 P49862 1/20 0.41
PRKAA2 P54646 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2J2 P51589 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL3289943 0.93 POLB (0.44) EPHX2APOBMTTPNTRK1KCNH2
SCHEMBL3289178 0.92 EPHX2 (0.45) EPHX2APOBMTTPNTRK1KCNH2
SCHEMBL3288519 0.91 SMO (0.47) EPHX2APOBMTTPNTRK1KCNH2
SCHEMBL3288509 0.91 NTRK1 (0.50) EPHX2APOBMTTPNTRK1KCNH2
SCHEMBL3289550 0.90 EPHX2 (0.41) EPHX2APOBMTTPNTRK1KCNH2
SCHEMBL3289783 0.90 SMO (0.46) EPHX2APOBMTTPNTRK1KCNH2
SCHEMBL3289639 0.90 SLC5A7 (0.43) EPHX2APOBMTTPNTRK1KCNH2
SCHEMBL3289955 0.90 EPHX2 (0.43) EPHX2APOBMTTPNTRK1KCNH2
SCHEMBL3289726 0.90 NTRK1 (0.43) EPHX2APOBMTTPNTRK1KCNH2
SCHEMBL3289653 0.90 EPHX2 (0.42) EPHX2FAAHCFDKLK7PRKAA2

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