SCHEMBL5545123

SCHEMBL5545123

CN(C)c1ccc(C(N)=O)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.43
CES2 O00748 1/20 0.42
CRHR1 P34998 2/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GPR52 Q9Y2T5 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ATM Q13315 1/20 0.36
KLKB1 P03952 1/20 0.36
P2RX4 Q99571 1/20 0.35

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
SCHEMBL4301401 0.83 AR (0.40) ARCES2CRHR1MAPTALDH1A1
SCHEMBL26020399 0.82 CES2 (0.45) ARCES2CRHR1MAPTALDH1A1
SCHEMBL1110884 0.81 CFTR (0.48) ARCES2MAPTALDH1A1HPGD
SCHEMBL26440666 0.81 AR (0.41) ARCES2CRHR1MAPTALDH1A1
SCHEMBL4620600 0.77 CES2 (0.46) CES2MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL24177167 0.75 CES2 (0.47) CES2MAPTALDH1A1HPGDKDM4E
SCHEMBL29789763 0.75 CES2 (0.47) CES2KMT2AATMPARP1DGAT1
SCHEMBL5342821 0.75 GPR52 (0.47) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL1032909 0.75 CES2 (0.47) CES2KMT2AATMPARP1DGAT1
SCHEMBL29789661 0.75 CES2 (0.47) CES2MAPTALDH1A1HPGDKDM4E

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-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP disclosed