SCHEMBL10185545

SCHEMBL10185545

O=C1C(N(c2cccc(F)c2)C(O)COc2ccccc2F)c2ccccc2N1C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ OPRL1 P41146 2/20 0.35
▸ POLB P06746 1/20 0.33
▸ PER2 O15055 2/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ CCKBR P32239 3/20 0.32
▸ CCKAR P32238 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL10185837 0.89 OPRM1 (0.34) OPRM1OPRK1OPRL1
SCHEMBL10185869 0.84 OPRM1 (0.40) OPRM1OPRK1OPRL1PER2CCKBR
SCHEMBL10185523 0.80 IDH1 (0.36) OPRM1OPRK1OPRL1TP53ALDH1A1
SCHEMBL10185518 0.78 OPRM1 (0.37) OPRM1OPRK1OPRL1POLBCCKBR
SCHEMBL10184098 0.78 OPRM1 (0.35) OPRM1OPRK1OPRL1CCKBRCCKAR
SCHEMBL10185587 0.75 TRPM8 (0.41) OPRM1OPRK1OPRL1CCKBRCCKAR
SCHEMBL10183299 0.74 OPRM1 (0.40) OPRM1OPRK1OPRL1CCKBRCCKAR
SCHEMBL10183761 0.73 TRPM8 (0.42) OPRM1OPRK1OPRL1CCKBRLMNA
SCHEMBL10183337 0.73 OPRM1 (0.39) OPRM1OPRK1OPRL1CCKBRCCKAR
SCHEMBL10183319 0.73 MEN1 (0.43) OPRM1OPRK1OPRL1CCKBRCCKAR

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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