SCHEMBL10183935

SCHEMBL10183935

COC(=O)NCC(=O)N(c1ccccc1F)C1C(=O)N(C2CCCCC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.41
▸ OPRK1 P41145 5/20 0.41
▸ OPRL1 P41146 5/20 0.41
▸ ALDH1A1 P00352 7/20 0.36
▸ CCKBR P32239 5/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CCKAR P32238 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ BBOX1 O75936 1/20 0.33
▸ ASPH Q12797 1/20 0.33
▸ KDM8 Q8N371 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ HIF1AN Q9NWT6 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
SCHEMBL10183694 0.88 OPRM1 (0.41) OPRM1OPRK1OPRL1ALDH1A1CCKBR
SCHEMBL10183939 0.87 OPRM1 (0.39) OPRM1OPRK1OPRL1ALDH1A1CCKBR
SCHEMBL10185977 0.85 OPRM1 (0.39) OPRM1OPRK1OPRL1ALDH1A1CCKBR
SCHEMBL10183343 0.77 KMT2A (0.36) OPRM1OPRK1OPRL1CCKBRKMT2A
SCHEMBL15137852 0.77 OPRM1 (0.38) OPRM1OPRK1OPRL1CCKBRMAPT
SCHEMBL10183782 0.74 OPRM1 (0.40) OPRM1OPRK1OPRL1CCKBRMAPT
SCHEMBL10183927 0.73 OPRM1 (0.36) OPRM1OPRK1OPRL1CCKBRMEN1
SCHEMBL10184071 0.73 OPRM1 (0.37) OPRM1OPRK1OPRL1CCKBRMAPT
SCHEMBL10184157 0.72 MAPT (0.38) OPRM1OPRK1OPRL1ALDH1A1KMT2A
SCHEMBL10183654 0.71 IDH1 (0.38) OPRM1OPRK1OPRL1CCKBRMAPT

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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