SCHEMBL8007909

SCHEMBL8007909

CN(C)CCCOc1cc(Cc2ccccc2)nn1Cc1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
SLC6A4 P31645 3/20 0.45
HTR1A P08908 2/20 0.45
ADRA2A P08913 2/20 0.45
DRD1 P21728 2/20 0.45
SLC6A2 P23975 2/20 0.45
ADRA1A P35348 2/20 0.45
OPRM1 P35372 2/20 0.45
DRD3 P35462 2/20 0.45
SLC6A3 Q01959 2/20 0.45
GUCY1B2 O75343 1/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
GUCY1A2 P33402 1/20 0.45
GUCY1A1 Q02108 1/20 0.45
GUCY1B1 Q02153 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL8019933 0.82 SLC6A4 (0.51) KDM4ESLC6A4HTR1AADRA2ADRD1
SCHEMBL7998013 0.81 SLC6A4 (0.49) KDM4ESLC6A4HTR1AADRA2ADRD1
SCHEMBL8010556 0.71 HRH3 (0.58) KDM4ESLC6A4HTR1AADRA2ADRD1
SCHEMBL1422874 0.66 ALDH1A1 (0.58) SLC6A4SLC6A2SLC6A3CYP1A2CYP2D6
SCHEMBL8005057 0.65 HRH3 (0.50) KDM4ESLC6A4HTR1AADRA2ADRD1
Hydrochloric Acid SCHEMBL4942544 0.65 ALDH1A1 (0.56) SLC6A4CYP1A2TSHRALDH1A1MAOA
SCHEMBL9056855 0.64 ALDH1A1 (0.55) KDM4ETSHRALDH1A1HPGD
SCHEMBL7998873 0.64 HRH3 (0.49) KDM4ESLC6A4HTR1AADRA2ADRD1
SCHEMBL8013585 0.64 HRH3 (0.47) KDM4ESLC6A4HTR1AADRA2ADRD1
SCHEMBL30101707 0.64 TAAR1 (0.61) SLC6A4SLC6A2SLC6A3CYP1A2HTR2A

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