SCHEMBL9015969

SCHEMBL9015969

COc1ccc(CN2CCN(CC(O)COc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.58
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.47
USP2 O75604 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CHRM2 P08172 2/20 0.45
OPRK1 P41145 2/20 0.45
LMNA P02545 2/20 0.45
CYP2C19 P33261 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CNR1 P21554 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 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
SCHEMBL9622241 0.85 CPT1B (0.45) CPT1BMAPTTP53USP2MEN1
SCHEMBL11620229 0.84 MEN1 (0.53) MAPTUSP2MEN1KMT2ACHRM2
SCHEMBL9015971 0.84 CPT1B (0.70) CPT1BTP53MEN1KMT2ACHRM2
SCHEMBL11621143 0.84 MEN1 (0.60) MAPTUSP2MEN1KMT2ACHRM2
SCHEMBL9015962 0.83 CPT1B (0.75) CPT1BMEN1KMT2ACHRM2OPRK1
SCHEMBL11623951 0.83 L3MBTL1 (0.61) MAPTMEN1KMT2ACHRM2OPRK1
SCHEMBL9015980 0.82 CPT1B (0.73) CPT1BMEN1KMT2ACHRM2OPRK1
SCHEMBL11622194 0.81 CACNA1G (0.64) MAPTUSP2MEN1KMT2ALMNA
SCHEMBL9015968 0.80 LMNA (0.47) CPT1BMAPTTP53MEN1KMT2A
SCHEMBL11618699 0.77 CHRM2 (0.59) MEN1KMT2ACHRM2OPRK1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533579-B1 Trimetazidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1996-12-04 EP disclosed
US-5283246-A Trimetazidine compounds ADIR ET COMPAGNIE (FR) 1994-02-01 US disclosed
EP-0533579-A1 Trimetazidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-03-24 EP disclosed