SCHEMBL8009956

SCHEMBL8009956

CN(C)CCCOc1cc(C(=O)O)n(Cc2ccccc2)n1.COc1cc(N)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.43
SORT1 Q99523 3/20 0.43
KDM4E B2RXH2 2/20 0.42
SLC6A2 P23975 2/20 0.42
DRD3 P35462 2/20 0.42
KCNH2 Q12809 2/20 0.42
GUCY1B2 O75343 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A4 P31645 1/20 0.42
GUCY1A2 P33402 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GUCY1A1 Q02108 1/20 0.42

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
3,4,5-Trimethoxybenzamide SCHEMBL8009946 0.91 GRN (0.42) GRNSORT1KDM4ESLC6A2DRD3
SCHEMBL7999906 0.87 GRN (0.55) GRNSORT1KDM4ESLC6A2DRD3
SCHEMBL8008246 0.86 GRN (0.46) GRNSORT1KDM4ESLC6A2DRD3
SCHEMBL8007576 0.85 GRN (0.41) GRNSORT1KDM4ESLC6A2DRD3
SCHEMBL8009953 0.85 SMN1; SMN2 (0.47) KDM4ESLC6A2DRD3KCNH2GUCY1B2
4-Bromoaniline SCHEMBL8010520 0.84 GRN (0.46) GRNSORT1KDM4ESLC6A2DRD3
3-Chloroaniline SCHEMBL8009908 0.83 KDM4E (0.47) GRNSORT1KDM4ESLC6A2DRD3
SCHEMBL7999013 0.83 GRN (0.44) GRNSORT1KDM4ESLC6A2DRD3
SCHEMBL8007921 0.82 GRN (0.46) GRNSORT1KDM4ESLC6A2DRD3
SCHEMBL5038706 0.81 KDM4E (0.51) GRNSORT1KDM4ESLC6A2DRD3

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