SCHEMBL5809775

SCHEMBL5809775

CCn1c(C)c(C)c2ccnc(N3CCCC(c4ccccc4)C3)c21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 2/20 0.45
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
GBA1 P04062 1/20 0.42
PRKDC P78527 1/20 0.41
BTK Q06187 2/20 0.39
PTPN11 Q06124 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
PDE10A Q9Y233 1/20 0.39
FAAH O00519 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GSK3B P49841 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 SCHEMBL5809323 0.99 PDE3A (0.44) PDE3ADRD2DRD1DRD4DRD5
SCHEMBL5795860 0.92 DRD2 (0.48) PDE3ADRD2DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL5806331 0.91 DRD2 (0.47) PDE3ADRD2DRD1DRD4DRD5
SCHEMBL5805404 0.90 PDE3A (0.43) PDE3ADRD2DRD1DRD4DRD5
SCHEMBL5809995 0.90 PDE3A (0.43) PDE3ADRD2DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL5808790 0.89 PDE3A (0.43) PDE3ADRD2DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL5808785 0.89 PDE3A (0.43) PDE3ADRD2DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL5811717 0.89 PDE3A (0.45) PDE3ADRD2DRD1DRD4DRD5
SCHEMBL5807182 0.88 GRM2 (0.46) DRD2PDE10A
Hydrochloric Acid SCHEMBL5809017 0.87 PDE3A (0.41) PDE3ADRD2DRD1DRD4DRD5

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