SCHEMBL8010463

SCHEMBL8010463

CN(C)CCCOc1cc(Cc2ccccc2)n(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
PDE4B Q07343 4/20 0.42
PDE4D Q08499 4/20 0.42
PDE4A P27815 3/20 0.42
PDE4C Q08493 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ABHD16A O95870 1/20 0.40
MAPK14 Q16539 2/20 0.38
HRH1 P35367 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL8010890 0.84 HRH1 (0.43) NPC1RAB9AHRH1CYP1A2HPGD
SCHEMBL8018544 0.82 HRH1 (0.41) SMN1; SMN2HRH1CYP1A2CYP2D6
SCHEMBL7998338 0.80 CTSK (0.44) HRH1CYP1A2LMNACYP2D6
SCHEMBL8008717 0.80 KCNH2 (0.45) CHRNB2CHRNA4HRH1CYP1A2CNR2
SCHEMBL8007360 0.79 SIGMAR1 (0.51)
SCHEMBL7999666 0.79 HRH1 (0.43) HRH1CYP1A2CYP2D6
SCHEMBL8010039 0.77 HRH1 (0.42) SMN1; SMN2HRH1CYP1A2MAPTLMNA
SCHEMBL8010524 0.74 SLC6A4 (0.41) HRH1CYP1A2CYP2D6
SCHEMBL8020139 0.74 HRH1 (0.43) HRH1CYP1A2CYP2D6
SCHEMBL7998241 0.74 P2RX7 (0.48) HRH1CYP1A2CYP2D6

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