SCHEMBL9563644

SCHEMBL9563644

COc1ccc(CN2CCN(CCCC3(C)Cc4c(C)c(O)c(C)c(C)c4O3)CC2)c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.47
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
CHRM2 P08172 2/20 0.42
OPRK1 P41145 2/20 0.42
CYP1A2 P05177 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRD1 P41143 1/20 0.42
APOBEC3A P31941 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
CACNA1G O43497 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL9563646 0.80 CHRM2 (0.44) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL9623016 0.78 CYP4F2 (0.42) CPT1BMEN1KMT2ALMNACYP2C19
SCHEMBL10346385 0.78 CHRM2 (0.45) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL8541237 0.76 CYP2C19 (0.43) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL9296206 0.73 CYP2C19 (0.36) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL9622243 0.72 CYP4F2 (0.40) MEN1KMT2ALMNACYP2C19TP53
SCHEMBL9297113 0.72 CHRM2 (0.45) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL9015966 0.72 CPT1B (0.58) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL5319031 0.71 CHRM2 (0.65) CPT1BMEN1KMT2AALDH1A1KDM4E
SCHEMBL10346941 0.71 CYP2C19 (0.53) MEN1KMT2AALDH1A1KDM4ECHRM2

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
EP-0533579-A1 Trimetazidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-03-24 EP disclosed