SCHEMBL9015968

SCHEMBL9015968

COc1ccc(CN2CCN(CC(O)COc3cc(C)c(O)c(C)c3C)CC2)c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
CHRM2 P08172 2/20 0.47
OPRK1 P41145 2/20 0.47
HTT P42858 2/20 0.47
CYP2C19 P33261 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CNR1 P21554 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
CACNA1B Q00975 1/20 0.47

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
SCHEMBL9015961 0.83 CPT1B (0.47) LMNACHRM2OPRK1HTTCYP2C19
SCHEMBL9015966 0.82 CPT1B (0.58) LMNACHRM2OPRK1MEN1KMT2A
SCHEMBL11620229 0.81 MEN1 (0.53) LMNACHRM2OPRK1HTTCYP2C19
SCHEMBL11621143 0.81 MEN1 (0.60) LMNACHRM2OPRK1HTTCYP2C19
SCHEMBL9015965 0.81 MEN1 (0.57) LMNACHRM2OPRK1MEN1KMT2A
SCHEMBL9015969 0.80 CPT1B (0.58) LMNACHRM2OPRK1HTTCYP2C19
SCHEMBL11623951 0.80 L3MBTL1 (0.61) LMNACHRM2OPRK1HTTCYP2C19
SCHEMBL7711599 0.79 MEN1 (0.70) LMNAOPRK1HTTCYP2C19DRD2
SCHEMBL11622194 0.78 CACNA1G (0.64) LMNAKCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL11618699 0.78 CHRM2 (0.59) LMNACHRM2OPRK1HTTCYP2C19

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