SCHEMBL30385308

SCHEMBL30385308

CN1CCC2(C1)CN(c1cccc(CN)n1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.39
HTR3E A5X5Y0 3/20 0.37
HTR3B O95264 3/20 0.37
HTR3A P46098 3/20 0.37
HTR3D Q70Z44 3/20 0.37
HTR3C Q8WXA8 3/20 0.37
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 5/20 0.36
HPGD P15428 4/20 0.36
TSHR P16473 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP2D6 P10635 2/20 0.36
DRD4 P21917 1/20 0.36
OPRM1 P35372 1/20 0.36
USP2 O75604 1/20 0.35
PARP1 P09874 1/20 0.35
CCR6 P51684 1/20 0.34
SOS1 Q07889 2/20 0.33
CYP3A4 P08684 2/20 0.33
TRPV3 Q8NET8 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
SCHEMBL21730229 1.00 PDE10A (0.39) PDE10AHTR3EHTR3BHTR3AHTR3D
SCHEMBL30385235 0.90 HTR3A (0.38) PDE10AHTR3EHTR3BHTR3AHTR3D
SCHEMBL22551892 0.90 HTR3A (0.38) PDE10AHTR3EHTR3BHTR3AHTR3D
SCHEMBL22551836 0.80 PDE10A (0.36) PDE10AHTR3EHTR3BHTR3AHTR3D
SCHEMBL30880813 0.80 PDE10A (0.36) PDE10AHTR3EHTR3BHTR3AHTR3D
SCHEMBL21722602 0.78 HTR3A (0.60) PDE10AHTR3EHTR3BHTR3AHTR3D
SCHEMBL21730228 0.76 SOS1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL26095748 0.75 PDE10A (0.33) PDE10AHTR3EHTR3BHTR3AHTR3D
SCHEMBL23774619 0.73 PDE10A (0.47) PDE10AHTR3EHTR3BHTR3AHTR3D
SCHEMBL23774759 0.73 HTR3A (0.34) PDE10AHTR3EHTR3BHTR3AHTR3D

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-115181092-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2024-05-03 CN disclosed