SCHEMBL28913855

SCHEMBL28913855

CNC(=O)c1ccc(C[C@@H](CN)OC(N)=O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 4/20 0.42
▸ GAA P10253 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ EPHX2 P34913 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ MET P08581 1/20 0.35
▸ PPARG P37231 9/20 0.35
▸ PPARD Q03181 9/20 0.35
▸ PPARA Q07869 9/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ SLC7A5 Q01650 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL28913856 1.00 OPRD1 (0.42) OPRD1GAAOPRM1EPHX2NR1H4
SCHEMBL28566530 0.90 OPRD1 (0.42) OPRD1GAAOPRM1EPHX2NR1H4
SCHEMBL28566533 0.90 OPRD1 (0.42) OPRD1GAAOPRM1EPHX2NR1H4
SCHEMBL28563949 0.85 OPRD1 (0.42) OPRD1GAAOPRM1EPHX2NR1H4
SCHEMBL23357298 0.80 OPRD1 (0.58) OPRD1GAAOPRM1EPHX2NR1H4
SCHEMBL23357299 0.80 OPRD1 (0.58) OPRD1GAAOPRM1EPHX2NR1H4
SCHEMBL30980849 0.79 OPRD1 (0.45) OPRD1GAAOPRM1EPHX2NR1H4
SCHEMBL25152425 0.78 OPRD1 (0.48) OPRD1GAAOPRM1EPHX2NR1H4
SCHEMBL15729574 0.77 GAA (0.51) OPRD1GAAOPRM1EPHX2NR1H4
SCHEMBL23357110 0.77 OPRD1 (0.45) OPRD1GAAOPRM1EPHX2NR1H4

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
CN-112867705-A Opioid receptor modulators and products and methods related thereto 埃皮欧黛公司 2021-05-28 — — CN disclosed
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