SCHEMBL5811542

SCHEMBL5811542

Cc1c(C)n(C)c2c(N3CCCC(c4ccccc4)C3)nccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 2/20 0.47
GBA1 P04062 1/20 0.44
GSK3B P49841 1/20 0.43
PRKDC P78527 1/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41
BTK Q06187 2/20 0.41
PROKR1 Q8TCW9 1/20 0.39
PTPN11 Q06124 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KDM4C Q9H3R0 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
Hydrochloric Acid SCHEMBL5807377 0.99 PDE3A (0.46) PDE3AGBA1GSK3BPRKDCDRD2
SCHEMBL5795860 0.86 DRD2 (0.48) PDE3AGBA1GSK3BPRKDCDRD2
SCHEMBL5809775 0.86 PDE3A (0.45) PDE3AGBA1GSK3BPRKDCDRD2
Hydrochloric Acid SCHEMBL5806331 0.86 DRD2 (0.47) PDE3AGBA1GSK3BPRKDCDRD2
Hydrochloric Acid SCHEMBL5809323 0.85 PDE3A (0.44) PDE3AGBA1GSK3BPRKDCDRD2
SCHEMBL5805404 0.84 PDE3A (0.43) PDE3AGBA1GSK3BPRKDCDRD2
SCHEMBL5809995 0.84 PDE3A (0.43) PDE3AGBA1PRKDCDRD2DRD1
Hydrochloric Acid SCHEMBL5809017 0.84 PDE3A (0.41) PDE3AGBA1PRKDCDRD2DRD1
Hydrochloric Acid SCHEMBL5808790 0.83 PDE3A (0.43) PDE3AGBA1PRKDCDRD2DRD1
Hydrochloric Acid SCHEMBL5811717 0.83 PDE3A (0.45) PDE3AGBA1GSK3BPRKDCDRD2

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-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed