SCHEMBL10183638

SCHEMBL10183638

O=C1C(N(C(=O)COCc2ccc(F)cc2)c2cccc(F)c2)c2ccccc2N1C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ OPRL1 P41146 2/20 0.35
▸ CCKAR P32238 2/20 0.35
▸ CCKBR P32239 2/20 0.35
▸ GRM5 P41594 3/20 0.34
▸ PTGIR P43119 2/20 0.34
▸ PTGDR Q13258 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ NR1H4 Q96RI1 2/20 0.33
▸ AGTR2 P50052 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PTGER3 P43115 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL10185933 0.93 GRM5 (0.40) OPRM1OPRK1OPRL1GRM5PTGIR
SCHEMBL10185907 0.89 OPRM1 (0.35) OPRM1OPRK1OPRL1CCKARCCKBR
SCHEMBL10185587 0.88 TRPM8 (0.41) OPRM1OPRK1OPRL1CCKARCCKBR
SCHEMBL10185558 0.87 NPC1 (0.36) OPRM1OPRK1OPRL1GRM5PTGIR
SCHEMBL10184119 0.86 OPRM1 (0.37) OPRM1OPRK1OPRL1CCKARCCKBR
SCHEMBL10183674 0.86 OPRM1 (0.34) OPRM1OPRK1OPRL1CCKARCCKBR
SCHEMBL10183321 0.85 OPRM1 (0.37) OPRM1OPRK1OPRL1CCKARCCKBR
SCHEMBL10183761 0.85 TRPM8 (0.42) OPRM1OPRK1OPRL1CCKBRAGTR2
SCHEMBL10183299 0.85 OPRM1 (0.40) OPRM1OPRK1OPRL1CCKARCCKBR
SCHEMBL10183337 0.84 OPRM1 (0.39) OPRM1OPRK1OPRL1CCKARCCKBR

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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