SCHEMBL4688304

SCHEMBL4688304

CCCN1CC(c2cccc3c2CC(=O)N3)OC[C@@H]1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.44
DRD3 P35462 10/20 0.44
DRD4 P21917 3/20 0.44
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA2B P18089 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
HTR2A P28223 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL4683948 1.00 DRD2 (0.44) DRD2DRD3DRD4KDM4ELMNA
SCHEMBL4687249 0.79 DRD3 (0.48) DRD2DRD3DRD4KDM4ELMNA
SCHEMBL4688234 0.79 DRD3 (0.48) DRD2DRD3DRD4KDM4ELMNA
SCHEMBL10509406 0.72 DRD2 (0.52) DRD2DRD3DRD4KDM4ELMNA
Hydrochloric Acid SCHEMBL10671440 0.71 DRD2 (0.51) DRD2DRD3DRD4KDM4ELMNA
SCHEMBL4686705 0.70 DRD2 (0.50) DRD2DRD3DRD4OPRM1KCNH2
SCHEMBL4683950 0.70 DRD2 (0.50) DRD2DRD3DRD4OPRM1KCNH2
SCHEMBL10977567 0.70 DRD2 (0.49) DRD2DRD3DRD4DRD1DRD5
SCHEMBL5231526 0.69 DRD2 (0.60) DRD2DRD3DRD4ADRA2AADRA2B
Hydrochloric Acid SCHEMBL11062974 0.69 DRD2 (0.48) DRD2DRD3DRD4DRD1DRD5

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