SCHEMBL28564132

SCHEMBL28564132

CNC(=O)c1ccc(C[C@@H](CO)OC(=O)NC(C)(C)C)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 5/20 0.43
▸ OPRM1 P35372 1/20 0.41
▸ EPHX2 P34913 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ PPARG P37231 9/20 0.35
▸ PPARD Q03181 9/20 0.35
▸ PPARA Q07869 9/20 0.35
▸ ESRRG P62508 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ MET P08581 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
SCHEMBL28563949 0.90 OPRD1 (0.42) OPRD1OPRM1EPHX2NR1H4GAA
SCHEMBL28566533 0.84 OPRD1 (0.42) OPRD1OPRM1EPHX2NR1H4GAA
SCHEMBL28566530 0.84 OPRD1 (0.42) OPRD1OPRM1EPHX2NR1H4GAA
SCHEMBL29096483 0.80 TRPA1 (0.43) —
SCHEMBL28564134 0.76 ATM (0.43) OPRD1OPRM1EPHX2NR1H4GAA
SCHEMBL30980917 0.76 ATM (0.43) OPRD1OPRM1EPHX2NR1H4GAA
SCHEMBL21447244 0.76 ATM (0.43) OPRD1OPRM1EPHX2NR1H4GAA
SCHEMBL28913856 0.74 OPRD1 (0.42) OPRD1OPRM1EPHX2NR1H4GAA
SCHEMBL28913855 0.74 OPRD1 (0.42) OPRD1OPRM1EPHX2NR1H4GAA
SCHEMBL15311168 0.74 CTSK (0.49) ALDH1A1

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
Send feedback