SCHEMBL27698385

SCHEMBL27698385

OC(c1cccc(C(F)(F)F)c1)C1C[CH]CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.48
CES2 O00748 1/20 0.44
HSD17B2 P37059 1/20 0.44
OPRL1 P41146 3/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
MRGPRX1 Q96LB2 1/20 0.43
EPHX1 P07099 1/20 0.43
PDE2A O00408 1/20 0.42
ACP3 P15309 1/20 0.41
GRIN2B Q13224 2/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL27698323 0.93 EPHX1 (0.46) PNMTCES2HSD17B2OPRL1OPRM1
SCHEMBL4157268 0.86 PNMT (0.58) PNMTCES2HSD17B2OPRL1OPRM1
SCHEMBL29750658 0.79 HTR2C (0.54) PNMTCES2HSD17B2OPRL1OPRM1
SCHEMBL11276420 0.76 PNMT (0.50) PNMTCES2HSD17B2OPRL1OPRM1
Hydrochloric Acid SCHEMBL11275846 0.75 PNMT (0.49) PNMTCES2HSD17B2OPRL1OPRM1
SCHEMBL8990296 0.74 PNMT (0.46) PNMTCES2HSD17B2OPRL1OPRM1
SCHEMBL4135956 0.71 PNMT (0.65) PNMTCES2ACP3IDO1TDO2
SCHEMBL11402437 0.71 HIF1A (0.56) PNMTOPRM1OPRK1EPHX1
SCHEMBL4144907 0.70 PNMT (0.46) PNMTCES2HSD17B2OPRL1OPRM1
SCHEMBL7626469 0.70 PNMT (0.62) PNMTCES2ACP3GRIN2BIDO1

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-101124200-A Methods and fluorinated compositions for treating amyloid-related diseases NEUROCHEM INTERNAT LTD (CH) 2008-02-13 CN disclosed