SCHEMBL9015980

SCHEMBL9015980

COc1ccc(CN2CCN(CCCCCOc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.73
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
TDP1 Q9NUW8 1/20 0.52
CACNA1G O43497 1/20 0.47
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
PKM P14618 1/20 0.46
APOBEC3A P31941 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL9015962 0.96 CPT1B (0.75) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9015998 0.87 CPT1B (0.93) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9015995 0.85 CPT1B (0.74) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9622223 0.85 CPT1B (0.56) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL2885813 0.84 CPT1B (1.00) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9015969 0.82 CPT1B (0.58) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9622863 0.81 CPT1B (0.57) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9015974 0.80 CPT1B (0.73) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9015965 0.80 MEN1 (0.57) CPT1BMEN1KMT2AKDM4EALDH1A1
Fumaric Acid SCHEMBL29802140 0.78 CPT1B (0.86) CPT1BMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283246-A Trimetazidine compounds ADIR ET COMPAGNIE (FR) 1994-02-01 US claimed
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