SCHEMBL31403008

SCHEMBL31403008

N#Cc1ccc2c(c1)CNC2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.75
DRD2 P14416 2/20 0.75
DRD3 P35462 2/20 0.75
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRND Q07001 1/20 0.46
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
KDM1A O60341 2/20 0.39
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL330686 1.00 PNMT (0.75) PNMTDRD2DRD3CHRNA1CHRNG
Hydrochloric Acid SCHEMBL21800263 0.98 PNMT (0.72) PNMTDRD2DRD3CHRNA1CHRNG
SCHEMBL351435 0.86 PNMT (1.00) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL29365632 0.86 PNMT (1.00) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL1638541 0.86 DRD2 (1.00) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL29580085 0.86 DRD2 (1.00) PNMTDRD2DRD3ADRA2AADRA2B
Hydrochloric Acid SCHEMBL30015379 0.84 DRD2 (0.96) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL20374032 0.84 PNMT (0.56) PNMTDRD2DRD3
Hydrochloric Acid SCHEMBL4224148 0.84 DRD2 (0.96) PNMTDRD2DRD3ADRA2AADRA2B
Hydrochloric Acid SCHEMBL65520 0.84 PNMT (0.96) PNMTDRD2DRD3ADRA2AADRA2B

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-2025021182-A1 CYP11A1 INHIBITORS ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2025-01-30 WO disclosed