SCHEMBL27680914

SCHEMBL27680914

NC(=O)CCC(F)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
GRM8 O00222 1/20 0.42
GRM4 Q14833 1/20 0.42
CNR2 P34972 2/20 0.39
KIF11 P52732 2/20 0.39
GSK3B P49841 2/20 0.39
PTPN1 P18031 1/20 0.39
ACP3 P15309 1/20 0.38
FFAR1 O14842 3/20 0.38
MMP1 P03956 1/20 0.37
HSD11B1 P28845 2/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL22190366 0.85 CES2 (0.49) CES2CES1GRM8GRM4CNR2
SCHEMBL11076601 0.82 CES2 (0.42) CES2CES1GRM8GRM4CNR2
SCHEMBL11080075 0.74 CES2 (0.47) CES2CES1GRM8GRM4CNR2
SCHEMBL28200284 0.73 CES2 (0.50) CES2CES1GRM8GRM4CNR2
SCHEMBL9187166 0.73 PDE2A (0.44) CES2CES1ACP3FFAR1
SCHEMBL23080122 0.72 CES2 (0.50) CES2CES1GRM8GRM4CNR2
SCHEMBL2316007 0.72 TAAR1 (0.57) CES2CES1FFAR1MAOB
SCHEMBL1226196 0.71 CES2 (0.45) CES2CES1FFAR1
SCHEMBL1226200 0.71 CES2 (0.45) CES2CES1FFAR1
SCHEMBL2692867 0.71 CES2 (0.45) CES2CES1FFAR1

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
CN-1950085-A 3- (4-heteroarylcyclohexylamino) cyclopentanecarboxamides as chemokine receptor modulators INCYTE CORP (US) 2007-04-18 CN disclosed