SCHEMBL8009903

SCHEMBL8009903

CN(C)CCCOc1cc(C(=O)O)n(Cc2ccccc2)n1.NC(=O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
GUCY1B2 O75343 1/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
GUCY1A2 P33402 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 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
SCHEMBL7999008 0.90 KDM4E (0.44) KDM4EGUCY1B2CYP1A2CHRM2HTR1A
3-Chloroaniline SCHEMBL8009908 0.89 KDM4E (0.47) KDM4EGUCY1B2CYP1A2CHRM2HTR1A
SCHEMBL7999906 0.87 GRN (0.55) KDM4EGUCY1B2CYP1A2CHRM2HTR1A
SCHEMBL8008243 0.86 GRN (0.44) KDM4EGUCY1B2CYP1A2CHRM2HTR1A
SCHEMBL8010513 0.86 GRN (0.44) KDM4EGUCY1B2CYP1A2CHRM2HTR1A
SCHEMBL5038706 0.85 KDM4E (0.51) KDM4EGUCY1B2CYP1A2CHRM2HTR1A
3,4,5-Trimethoxybenzamide SCHEMBL8009946 0.84 GRN (0.42) KDM4EGUCY1B2CYP1A2CHRM2HTR1A
SCHEMBL8007915 0.83 KDM4E (0.45) KDM4EGUCY1B2CYP1A2CHRM2HTR1A
SCHEMBL8009939 0.82 ALDH1A1 (0.46) KDM4EGUCY1B2CYP1A2CHRM2HTR1A
SCHEMBL8010754 0.81 SMN1; SMN2 (0.46) KDM4EGUCY1B2CYP1A2CHRM2HTR1A

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 claimed