SCHEMBL29138933

SCHEMBL29138933

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
KDM1A O60341 1/20 0.39
OPRL1 P41146 5/20 0.39
OPRM1 P35372 4/20 0.39
SLC6A3 Q01959 3/20 0.36
HSD11B1 P28845 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
APP P05067 1/20 0.35
THRB P10828 1/20 0.34
DAO P14920 1/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL28974070 0.91 MAOA (0.41) MAOAMAOBKDM1AOPRL1OPRM1
SCHEMBL29138885 0.81 OPRL1 (0.48) OPRL1OPRM1OPRD1OPRK1THRB
SCHEMBL29138884 0.81 OPRL1 (0.48) OPRL1OPRM1OPRD1OPRK1THRB
SCHEMBL23993224 0.76 MAOA (0.42) MAOAMAOBKDM1AOPRL1OPRM1
SCHEMBL28818434 0.74 HSD11B1 (0.41) MAOAMAOBKDM1AOPRL1OPRM1
SCHEMBL29138902 0.73 OPRL1 (0.43) MAOAMAOBKDM1AOPRL1OPRM1
SCHEMBL25004297 0.73 MAOA (0.42) MAOAMAOBKDM1AOPRL1OPRM1
SCHEMBL21767866 0.68 DRD3 (0.41) MAOAMAOBKDM1A
SCHEMBL17729499 0.67 APP (0.43) MAOAMAOBKDM1AOPRL1OPRM1
SCHEMBL31506631 0.67 CNR1 (0.40) OPRL1OPRM1HSD11B1MEN1HPGD

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