SCHEMBL13117702

SCHEMBL13117702

O=C(NCCNC(=O)C1Sc2ccccc2C1Cl)c1ccc(O[C@H]2CC[C@H](C(=O)O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.47
▸ HSD17B10 Q99714 1/20 0.41
▸ OPRM1 P35372 2/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.37
▸ USP5 P45974 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13117596 1.00 DGAT1 (0.47) DGAT1HSD17B10OPRM1OPRD1MEN1
SCHEMBL13117665 0.95 DGAT1 (0.42) DGAT1HSD17B10OPRM1OPRD1MEN1
SCHEMBL13117652 0.86 HSD17B10 (0.38) DGAT1HSD17B10OPRM1OPRD1MEN1
SCHEMBL13117655 0.86 PDE4D (0.39) DGAT1OPRM1MEN1KMT2A
SCHEMBL13117885 0.86 DGAT1 (0.40) DGAT1HRH3
SCHEMBL13117895 0.86 DGAT1 (0.34) DGAT1
SCHEMBL13117662 0.86 DGAT1 (0.37) DGAT1
SCHEMBL664114 0.81 DGAT1 (0.56) DGAT1HSD17B10OPRM1OPRD1MEN1
SCHEMBL10184323 0.81 DGAT1 (0.56) DGAT1HSD17B10OPRM1OPRD1MEN1
SCHEMBL664113 0.81 DGAT1 (0.56) DGAT1HSD17B10OPRM1OPRD1MEN1

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
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 — — WO disclosed
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