SCHEMBL3678482

SCHEMBL3678482

O=C(NC1CC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.60
DPP4 P27487 1/20 0.58
DPP8 Q6V1X1 1/20 0.58
DPP9 Q86TI2 1/20 0.58
DPP7 Q9UHL4 1/20 0.58
EPHX2 P34913 9/20 0.58
FAAH O00519 7/20 0.58
RAF1 P04049 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
EPHX1 P07099 2/20 0.56
TRPV1 Q8NER1 2/20 0.54
HPGDS O60760 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL11820779 0.94 MCHR1 (0.55) MCHR1DPP4DPP8DPP9DPP7
SCHEMBL6455818 0.93 SMYD3 (0.58) MCHR1DPP4DPP8DPP9DPP7
SCHEMBL6455822 0.93 SMYD3 (0.58) MCHR1DPP4DPP8DPP9DPP7
SCHEMBL11814856 0.90 EPHX2 (0.52) MCHR1DPP4DPP8DPP9DPP7
SCHEMBL2517888 0.84 EPHX1 (0.58) MCHR1DPP4DPP8DPP9DPP7
SCHEMBL10294129 0.84 RAB9A (0.55) MCHR1HPGDSMEN1NPC1RAB9A
SCHEMBL11822388 0.83 MCHR1 (0.47) MCHR1DPP4DPP8DPP9DPP7
SCHEMBL1424870 0.82 HSD11B1 (0.69) DPP4DPP8DPP9DPP7EPHX2
SCHEMBL2472926 0.82 TAS1R3 (0.67) MCHR1EPHX2L3MBTL1HPGDSNPC1
SCHEMBL23390110 0.81 F2R (0.55) DPP4DPP8DPP9DPP7EPHX2

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-2173735-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-04-14 EP disclosed
WO-2009003861-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 WO disclosed