SCHEMBL31020116

SCHEMBL31020116

[2H]C1([2H])CNCc2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PNMT P11086 4/20 0.36
CD44 P16070 1/20 0.36
MAOB P27338 1/20 0.36
MELK Q14680 1/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR5A P47898 3/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL330372 0.80 ASIC3 (0.60) ASIC3HTR2AHTR2CDRD2DRD3
SCHEMBL107103 0.79 CYP1A2 (0.43) ASIC3HTR2AHTR2CPNMTMELK
Hydrochloric Acid SCHEMBL1000880 0.78 ASIC3 (0.58) ASIC3HTR2AHTR2CDRD2DRD3
Hydrochloric Acid SCHEMBL1266812 0.77 CYP1A2 (0.42) ASIC3HTR2AHTR2CPNMTMELK
SCHEMBL30950592 0.77 ASIC3 (0.47) ASIC3HTR2AHTR2CDRD2DRD3
SCHEMBL1887809 0.77 ASIC3 (0.47) ASIC3HTR2AHTR2CDRD2DRD3
SCHEMBL420370 0.76 PNMT (0.60) HTR2AHTR2CDRD2DRD3PNMT
SCHEMBL29741628 0.76 PNMT (0.60) HTR2AHTR2CDRD2DRD3PNMT
Hydrochloric Acid SCHEMBL2315581 0.75 CYP1A2 (0.41) ASIC3HTR2AHTR2CPNMTMELK
Hydrochloric Acid SCHEMBL29586555 0.74 PNMT (0.58) HTR2AHTR2CDRD2DRD3PNMT

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-119948023-A Regulator containing piperidine polycyclic derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-06 CN disclosed
CN-118451079-A Benzopiperidine derivative modulators, methods of preparation and uses thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed