SCHEMBL8489197

SCHEMBL8489197

CCCc1cccc(C2CNC2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.54
DRD3 P35462 4/20 0.54
DRD1 P21728 1/20 0.54
DRD4 P21917 1/20 0.54
DRD5 P21918 1/20 0.54
S1PR3 Q99500 1/20 0.40
HTR2C P28335 4/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR2B P41595 2/20 0.35

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
SCHEMBL28221729 0.89 S1PR3 (0.52) DRD2DRD3DRD1DRD4DRD5
SCHEMBL18616368 0.86 HTR2C (0.40) DRD2DRD3DRD1DRD4DRD5
SCHEMBL20671935 0.81 DRD2 (0.37) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4379176 0.81 DRD3 (0.67) DRD2DRD3DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL7994687 0.79 DRD3 (0.65) DRD2DRD3DRD1DRD4DRD5
SCHEMBL18585843 0.79 CHRNB4 (0.49) DRD2DRD3HTR2CSLC6A2SLC6A3
SCHEMBL17825519 0.78 SPHK1 (0.44)
SCHEMBL11830694 0.77 DRD2 (0.55) DRD2DRD3DRD1DRD4DRD5
SCHEMBL11828822 0.74 HTR2C (0.55) DRD2DRD3DRD1DRD4DRD5
SCHEMBL20671885 0.74 DRD2 (0.43) DRD2DRD3DRD1DRD4DRD5

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-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed