SCHEMBL8008167

SCHEMBL8008167

COc1ccccc1-n1nc(OCCCN(C)C)cc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.48
DRD1 P21728 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
HTR7 P34969 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GUCY1B2 O75343 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
GUCY1A2 P33402 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 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
SCHEMBL8020139 0.86 HRH1 (0.43) HRH1DRD1DRD2DRD4DRD5
SCHEMBL7998241 0.83 P2RX7 (0.48) HRH1DRD1DRD2DRD4KDM4E
SCHEMBL8010569 0.81 HRH1 (0.52) HRH1DRD1DRD2DRD4DRD5
SCHEMBL8009255 0.81 HRH1 (0.41) HRH1DRD1DRD2DRD4DRD5
SCHEMBL7999666 0.79 HRH1 (0.43) HRH1DRD1KDM4EGUCY1B2CYP1A2
SCHEMBL8010890 0.78 HRH1 (0.43) HRH1DRD1KDM4EGUCY1B2CYP1A2
SCHEMBL8007360 0.77 SIGMAR1 (0.51) KCNH2
SCHEMBL8010039 0.76 HRH1 (0.42) HRH1DRD1KDM4EGUCY1B2CYP1A2
SCHEMBL8013990 0.75 HRH3 (0.48) HRH1DRD1KDM4EGUCY1B2CYP1A2
SCHEMBL7998338 0.75 CTSK (0.44) HRH1DRD1KDM4EGUCY1B2CYP1A2

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-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO disclosed