SCHEMBL28915428

SCHEMBL28915428

CN(C)[C@H](CNC(=O)NCc1ccccc1)Cc1csc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.64
OPRK1 P41145 9/20 0.64
OPRD1 P41143 7/20 0.64
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL28915431 1.00 OPRM1 (0.64) OPRM1OPRK1OPRD1TP53SMN1; SMN2
SCHEMBL30072408 1.00 OPRM1 (0.64) OPRM1OPRK1OPRD1TP53SMN1; SMN2
SCHEMBL30072526 0.93 OPRM1 (0.75) OPRM1OPRK1OPRD1TP53SMN1; SMN2
SCHEMBL28915801 0.93 OPRM1 (0.75) OPRM1OPRK1OPRD1TP53SMN1; SMN2
SCHEMBL28915800 0.93 OPRM1 (0.75) OPRM1OPRK1OPRD1TP53SMN1; SMN2
SCHEMBL28915086 0.92 OPRM1 (0.63) OPRM1OPRK1OPRD1TP53SMN1; SMN2
SCHEMBL28915088 0.92 OPRM1 (0.63) OPRM1OPRK1OPRD1TP53SMN1; SMN2
SCHEMBL30072363 0.92 OPRM1 (0.63) OPRM1OPRK1OPRD1TP53SMN1; SMN2
SCHEMBL28961042 0.90 OPRM1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL30072364 0.90 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115477634-B Analgesic compounds and medical uses thereof 中国人民解放军军事科学院军事医学研究院 2024-02-13 CN disclosed
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