SCHEMBL26853409

SCHEMBL26853409

c1cc2c(s1)COCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.41
DRD2 P14416 4/20 0.37
DRD3 P35462 3/20 0.37
DRD1 P21728 2/20 0.37
DRD4 P21917 2/20 0.37
DRD5 P21918 2/20 0.37
PNMT P11086 1/20 0.36
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
PIM1 P11309 1/20 0.30
PDGFRA P16234 1/20 0.30
PRKACA P17612 1/20 0.30
LTK P29376 1/20 0.30

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
SCHEMBL5456315 0.87
SCHEMBL18723792 0.83 PNMT (0.41) TAAR1DRD2DRD3DRD1DRD4
SCHEMBL31514401 0.75
SCHEMBL13501 0.74
SCHEMBL75265 0.72
SCHEMBL828997 0.72
SCHEMBL19674177 0.72 PNMT (0.38) TAAR1DRD2DRD3DRD1DRD4
SCHEMBL15281530 0.70 PNMT (0.48) TAAR1DRD2DRD3DRD1DRD4
SCHEMBL2485508 0.70 PNMT (0.48) TAAR1DRD2DRD3DRD1DRD4
SCHEMBL15276726 0.70 PNMT (0.48) TAAR1DRD2DRD3DRD1DRD4

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-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed