SCHEMBL28914992

SCHEMBL28914992

CN(C)[C@H](CNC(=O)Nc1ccccc1)Cc1csc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.62
OPRK1 P41145 7/20 0.62
OPRD1 P41143 6/20 0.62
MAPT P10636 4/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FAAH O00519 1/20 0.45
TAAR1 Q96RJ0 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL28915428 0.87 OPRM1 (0.64) OPRM1OPRK1OPRD1
SCHEMBL30072408 0.87 OPRM1 (0.64) OPRM1OPRK1OPRD1
SCHEMBL28915431 0.87 OPRM1 (0.64) OPRM1OPRK1OPRD1
SCHEMBL30072364 0.84 OPRM1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL30072329 0.84 OPRM1 (0.67) OPRM1OPRK1OPRD1
SCHEMBL30072240 0.84 OPRM1 (0.67) OPRM1OPRK1OPRD1
SCHEMBL28915006 0.84 OPRM1 (0.67) OPRM1OPRK1OPRD1
SCHEMBL28915007 0.84 OPRM1 (0.67) OPRM1OPRK1OPRD1
SCHEMBL28961041 0.84 OPRM1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL28961042 0.84 OPRM1 (0.62) OPRM1OPRK1OPRD1

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-115477634-A Compound for analgesia and medical application thereof 中国人民解放军军事科学院军事医学研究院 2022-12-16 CN disclosed