SCHEMBL8064097

SCHEMBL8064097

COc1ccc(CN2CCNCC2)c(OC)c1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.76
OPRK1 P41145 2/20 0.76
CYP1A2 P05177 1/20 0.76
SLC6A4 P31645 1/20 0.76
OPRD1 P41143 1/20 0.76
APOBEC3A P31941 1/20 0.74
CTDSP1 Q9GZU7 1/20 0.74
APOBEC3G Q9HC16 1/20 0.74
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GNAI3 P08754 1/20 0.45
USP2 O75604 1/20 0.45
CYP2D6 P10635 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
SCHEMBL8058972 0.89 CHRM2 (0.76) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Trimetazidine SCHEMBL11846840 0.87 CHRM2 (1.00) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Trimetazidine SCHEMBL230374 0.87 CHRM2 (1.00) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Trimetazidine SCHEMBL29375563 0.87 CHRM2 (1.00) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Trimetazidine SCHEMBL348591 0.85 APOBEC3A (1.00) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Trimetazidine SCHEMBL29677959 0.85 APOBEC3A (1.00) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Trimetazidine SCHEMBL2901538 0.85 APOBEC3A (1.00) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Trimetazidine SCHEMBL15302482 0.85 CHRM2 (0.97) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Trimetazidine SCHEMBL29605009 0.85 APOBEC3A (1.00) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Trimetazidine SCHEMBL3896420 0.85 CHRM2 (0.97) CHRM2OPRK1CYP1A2SLC6A4OPRD1

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-3053911-A1 ADIPONECTIN RECEPTOR-ACTIVATING COMPOUND The University of Tokyo (JP) 2016-08-10 EP disclosed
EP-0733627-B1 Thiophene compounds, a method for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-06-28 EP disclosed
EP-0733627-A1 Thiophene compounds, a method for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-09-25 EP disclosed