SCHEMBL4684880

SCHEMBL4684880

CCN1CC(c2cccc3[nH]ncc23)OC[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
DRD4 P21917 1/20 0.39
IDO1 P14902 1/20 0.39
MET P08581 1/20 0.38
NOS1 P29475 3/20 0.35
AXL P30530 2/20 0.35
PIK3CG P48736 1/20 0.34
PIK3CA P42336 1/20 0.34
CHEK1 O14757 1/20 0.34
ATR Q13535 1/20 0.34
PDCD1 Q15116 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ROCK2 O75116 1/20 0.33
ARHGDIA P52565 1/20 0.33
ROCK1 Q13464 1/20 0.33
LRRK2 Q5S007 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 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
SCHEMBL4689438 1.00 DRD2 (0.39) DRD2DRD3DRD4IDO1MET
SCHEMBL4687312 1.00 DRD2 (0.39) DRD2DRD3DRD4IDO1MET
SCHEMBL4686705 0.91 DRD2 (0.50) DRD2DRD3DRD4IDO1MET
SCHEMBL4683950 0.91 DRD2 (0.50) DRD2DRD3DRD4IDO1MET
SCHEMBL4688203 0.74 DRD3 (0.49) DRD2DRD3IDO1METPIK3CG
SCHEMBL4687244 0.74 DRD3 (0.49) DRD2DRD3IDO1METPIK3CG
SCHEMBL4684070 0.73 MET (0.45) IDO1METNOS1AXLPIK3CG
SCHEMBL21894786 0.69 TRPV1 (0.40) IDO1NOS1AXLLRRK2SLC6A4
SCHEMBL4686484 0.69 SLC6A4 (0.44) DRD2IDO1METNOS1AXL
SCHEMBL27948372 0.67 IDO1 (0.43) IDO1METNOS1AXLMETAP2

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
EP-1753763-B1 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PFIZER LTD (GB) 2008-08-13 EP claimed