SCHEMBL29138902

SCHEMBL29138902

O=CN1CC(O)(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.43
OPRM1 P35372 3/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
DRD2 P14416 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
KDM1A O60341 1/20 0.39
CCR1 P32246 2/20 0.38
THRB P10828 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
SCN9A Q15858 1/20 0.35
CYP1A2 P05177 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35

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 0.88 OPRL1 (0.48) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL29138885 0.88 OPRL1 (0.48) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL14302044 0.81 OPRM1 (0.43) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL23605148 0.80 GRIN2B (0.47) MAOAMAOBKDM1A
SCHEMBL24397903 0.77 OPRL1 (0.46) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL17729514 0.77 OPRL1 (0.43) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL11605946 0.74 HPGD (0.50) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL18282707 0.74 OPRL1 (0.55) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL29138933 0.73 MAOA (0.39) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL28974070 0.72 MAOA (0.41) OPRL1OPRM1OPRD1OPRK1MAOA

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