SCHEMBL9426090

SCHEMBL9426090

COc1ccc(CN2CCN(C(=O)[C@@H](N)Cc3c[nH]cn3)CC2)c(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.48
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
APOBEC3A P31941 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CACNA1G O43497 1/20 0.43
TSHR P16473 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
SCHEMBL9426103 0.82 CYP2C19 (0.54) CYP2C19ALDH1A1KDM4EPKMHTT
SCHEMBL9154232 0.81 ALDH1A1 (0.60) CYP2C19ALDH1A1KDM4EPKMHTT
SCHEMBL9278393 0.80 ALDH1A1 (0.48) CYP2C19ALDH1A1KDM4EPKMHTT
Hydrochloric Acid SCHEMBL9426502 0.80 ALDH1A1 (0.59) CYP2C19ALDH1A1KDM4EPKMHTT
SCHEMBL10858979 0.79 CYP2C19 (0.69) CYP2C19ALDH1A1KDM4EPKMHTT
SCHEMBL10858976 0.79 CYP2C19 (0.69) CYP2C19ALDH1A1KDM4EPKMHTT
SCHEMBL9158845 0.79 CYP2C19 (0.71) CYP2C19ALDH1A1KDM4EPKMHTT
SCHEMBL9160121 0.79 CYP2C19 (0.71) CYP2C19ALDH1A1KDM4EPKMHTT
Hydrochloric Acid SCHEMBL10859963 0.78 CYP2C19 (0.67) CYP2C19ALDH1A1KDM4EPKMHTT
Hydrochloric Acid SCHEMBL10859968 0.78 CYP2C19 (0.67) CYP2C19ALDH1A1KDM4EPKMHTT

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
US-5340809-A Antihypoxic, antiischemic agents ADIR ET COMPAGNIE (FR) 1994-08-23 US disclosed