SCHEMBL10183802

SCHEMBL10183802

O=C1C(N(C(=O)c2ccc(O)cc2)c2cccc(F)c2)c2ccccc2N1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.38
▸ OPRK1 P41145 3/20 0.38
▸ OPRL1 P41146 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PDK1 Q15118 2/20 0.35
▸ PDK2 Q15119 2/20 0.35
▸ PDK3 Q15120 2/20 0.35
▸ PDK4 Q16654 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ CCKAR P32238 2/20 0.34
▸ CCKBR P32239 2/20 0.34
▸ AGER Q15109 2/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM3 P20309 1/20 0.34

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
SCHEMBL10183321 0.86 OPRM1 (0.37) OPRM1OPRK1OPRL1LMNAMAPT
SCHEMBL10183299 0.84 OPRM1 (0.40) OPRM1OPRK1OPRL1LMNAMAPT
SCHEMBL10185932 0.84 OPRM1 (0.40) OPRM1OPRK1OPRL1LMNAMAPT
SCHEMBL10183337 0.83 OPRM1 (0.39) OPRM1OPRK1OPRL1LMNAMAPT
SCHEMBL10183319 0.83 MEN1 (0.43) OPRM1OPRK1OPRL1LMNAMAPT
SCHEMBL10183782 0.81 OPRM1 (0.40) OPRM1OPRK1OPRL1LMNAMAPT
SCHEMBL10183654 0.80 IDH1 (0.38) OPRM1OPRK1OPRL1LMNAMAPT
SCHEMBL10184105 0.80 OPRM1 (0.37) OPRM1OPRK1OPRL1LMNAMAPT
SCHEMBL10184188 0.80 OPRM1 (0.37) OPRM1OPRK1OPRL1LMNAMAPT
SCHEMBL10184015 0.80 OPRM1 (0.37) OPRM1OPRK1OPRL1LMNAMAPT

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
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 — — WO disclosed
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