SCHEMBL10185907

SCHEMBL10185907

O=C1C(N(C(=O)COCc2ccccc2F)c2cccc(F)c2)c2ccccc2N1C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ OPRL1 P41146 2/20 0.35
▸ AGTR2 P50052 1/20 0.33
▸ CCKBR P32239 3/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ PTGIR P43119 4/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PTGER3 P43115 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CCKAR P32238 2/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL10183638 0.89 OPRM1 (0.35) OPRM1OPRK1OPRL1AGTR2CCKBR
SCHEMBL10185933 0.87 GRM5 (0.40) OPRM1OPRK1OPRL1AGTR2PTGIR
SCHEMBL10185558 0.86 NPC1 (0.36) OPRM1OPRK1OPRL1AGTR2ALDH1A1
SCHEMBL10184119 0.85 OPRM1 (0.37) OPRM1OPRK1OPRL1AGTR2CCKBR
SCHEMBL10183674 0.85 OPRM1 (0.34) OPRM1OPRK1OPRL1AGTR2CCKBR
SCHEMBL10184148 0.85 C5AR1 (0.32) OPRM1OPRK1OPRL1AGTR2PTGIR
SCHEMBL10183761 0.85 TRPM8 (0.42) OPRM1OPRK1OPRL1AGTR2CCKBR
SCHEMBL10183299 0.84 OPRM1 (0.40) OPRM1OPRK1OPRL1AGTR2CCKBR
SCHEMBL10185587 0.84 TRPM8 (0.41) OPRM1OPRK1OPRL1CCKBRALDH1A1
SCHEMBL10183337 0.83 OPRM1 (0.39) OPRM1OPRK1OPRL1AGTR2CCKBR

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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