SCHEMBL31442177

SCHEMBL31442177

COC(=O)[C@@]12CCCN1C[C@H](O)C2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.33
OPRD1 P41143 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPIA P62937 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRM1 P35372 1/20 0.30

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
SCHEMBL30922808 1.00 OPRL1 (0.33) OPRL1OPRD1NPSR1PPIAALDH1A1
SCHEMBL26893933 1.00 OPRL1 (0.33) OPRL1OPRD1NPSR1PPIAALDH1A1
SCHEMBL24543293 0.84 OPRL1 (0.33) OPRL1OPRD1NPSR1PPIAALDH1A1
SCHEMBL29940065 0.84 OPRL1 (0.33) OPRL1OPRD1NPSR1PPIAALDH1A1
SCHEMBL26893877 0.84 OPRL1 (0.33) OPRL1OPRD1NPSR1PPIAALDH1A1
SCHEMBL29940079 0.84 OPRL1 (0.33) OPRL1OPRD1NPSR1PPIAALDH1A1
SCHEMBL30885335 0.84 OPRL1 (0.33) OPRL1OPRD1NPSR1PPIAALDH1A1
SCHEMBL24920123 0.83 MAPK1 (0.34) OPRD1OPRM1
SCHEMBL31691657 0.80 PDCD1 (0.30)
SCHEMBL31667789 0.79 OPRL1 (0.33) OPRL1OPRD1OPRM1

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
WO-2025053850-A1 COVALENT KRAS-BINDING COMPOUNDS FOR MEDICAL TREATMENT HYKU BIOSCIENCES INC. (US) 2025-03-13 WO disclosed