SCHEMBL8007576

SCHEMBL8007576

CN(C)CCCOc1cc(C(=O)O)n(Cc2ccccc2)n1.COc1ccc(-c2ccccc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.41
SORT1 Q99523 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GUCY1B2 O75343 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
GUCY1A2 P33402 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GUCY1A1 Q02108 1/20 0.41
GUCY1B1 Q02153 1/20 0.41

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
SCHEMBL7999906 0.85 GRN (0.55) GRNSORT1KDM4EGUCY1B2CYP1A2
SCHEMBL8009956 0.85 GRN (0.43) GRNSORT1KDM4EGUCY1B2CYP1A2
SCHEMBL8007921 0.82 GRN (0.46) GRNSORT1KDM4EGUCY1B2CYP1A2
3,4,5-Trimethoxybenzamide SCHEMBL8009946 0.82 GRN (0.42) GRNSORT1KDM4EGUCY1B2CYP1A2
SCHEMBL8008246 0.80 GRN (0.46) GRNSORT1KDM4EGUCY1B2CYP1A2
4-Bromoaniline SCHEMBL8010520 0.80 GRN (0.46) GRNSORT1KDM4EGUCY1B2CYP1A2
3-Chloroaniline SCHEMBL8009908 0.79 KDM4E (0.47) GRNSORT1KDM4EGUCY1B2CYP1A2
SCHEMBL5038706 0.79 KDM4E (0.51) GRNSORT1KDM4EGUCY1B2CYP1A2
SCHEMBL8008159 0.79 GRN (0.43) GRNSORT1KDM4EGUCY1B2CYP1A2
SCHEMBL7998018 0.79 GRN (0.48) GRNSORT1KDM4EGUCY1B2CYP1A2

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