SCHEMBL29138885

SCHEMBL29138885

O=CN1CC[C@@](O)(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.48
OPRM1 P35372 6/20 0.48
OPRK1 P41145 3/20 0.48
OPRD1 P41143 2/20 0.48
DRD2 P14416 1/20 0.44
CCR1 P32246 3/20 0.43
S1PR2 O95136 3/20 0.39
CCR3 P51677 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL29138884 1.00 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL29138902 0.88 OPRL1 (0.43) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL13502008 0.83 OPRM1 (0.49) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL29138933 0.81 MAOA (0.39) OPRL1OPRM1OPRK1OPRD1THRB
SCHEMBL28974070 0.77 MAOA (0.41) OPRL1OPRM1OPRK1OPRD1THRB
SCHEMBL14748330 0.77 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL23605148 0.75 GRIN2B (0.47)
SCHEMBL28796806 0.74 OPRM1 (0.60) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL10077966 0.73 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL18282707 0.73 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1DRD2

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-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN disclosed