SCHEMBL30054343

SCHEMBL30054343

COc1cccc(N(C)c2cccc(OC)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.61
MTNR1B P49286 9/20 0.61
ACHE P22303 1/20 0.52
HSD17B2 P37059 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B1 P14061 1/20 0.50
CHRM5 P08912 1/20 0.48
RELA Q04206 1/20 0.47
ALOX15 P16050 1/20 0.46

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
SCHEMBL1134082 1.00 MTNR1A (0.61) MTNR1AMTNR1BACHEHSD17B2CA1
SCHEMBL1134087 0.94 MTNR1A (0.60) MTNR1AMTNR1BACHEHSD17B2HSD17B1
SCHEMBL9005151 0.90 MTNR1A (0.61) MTNR1AMTNR1BACHEHSD17B2CA1
SCHEMBL22166438 0.89 MTNR1A (0.60) MTNR1AMTNR1BACHEHSD17B2HSD17B1
SCHEMBL12047760 0.87 MTNR1A (0.58) MTNR1AMTNR1BHSD17B2HSD17B1ALOX15
SCHEMBL3668117 0.87 MTNR1A (0.58) MTNR1AMTNR1BHSD17B2ALDH1A1CYP3A4
SCHEMBL17602315 0.87 MTNR1A (0.62) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL30595089 0.87 MTNR1A (0.58) MTNR1AMTNR1BHSD17B2ALDH1A1CYP3A4
SCHEMBL12048752 0.87 MTNR1A (0.55) MTNR1AMTNR1BACHEHSD17B2HSD17B1
SCHEMBL29636366 0.86 ACHE (0.52) MTNR1AMTNR1BACHEHSD17B2CA1

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
CN-111315829-B Small molecule organic dye 巴塞尔大学 2022-11-04 CN disclosed