SCHEMBL30980868

SCHEMBL30980868

CNC(=O)c1ccc(C[C@@H](CNC(=O)c2ccc(Cl)cc2Cl)N(C)C)cc1F

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.64
▸ OPRM1 P35372 3/20 0.56
▸ POLB P06746 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TMEM97 Q5BJF2 2/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ P2RX7 Q99572 1/20 0.39

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
SCHEMBL21447367 1.00 OPRD1 (0.64) OPRD1OPRM1POLBTHRBRECQL
SCHEMBL21447366 1.00 OPRD1 (0.64) OPRD1OPRM1POLBTHRBRECQL
SCHEMBL21447427 0.85 OPRD1 (0.60) OPRD1OPRM1TMEM97SIGMAR1HPGD
SCHEMBL21447418 0.82 OPRD1 (0.59) OPRD1OPRM1ALDH1A1OPRK1
SCHEMBL25152026 0.82 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL29919435 0.82 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL29162537 0.82 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL25152023 0.82 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL29919616 0.82 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL23435319 0.80 OPRD1 (0.61) OPRD1OPRM1ALDH1A1OPRK1

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-B Opioid receptor modulators and products and methods related thereto 埃皮欧黛公司 2024-08-20 — — CN disclosed
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