SCHEMBL13117652

SCHEMBL13117652

O=C(NCCNC(=O)C1Sc2ccccc2C1Cl)c1ccc(O[C@@H]2CC[C@@H](F)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.38
▸ RAB9A P51151 3/20 0.36
▸ DGAT1 O75907 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ DHODH Q02127 2/20 0.35
▸ FAAH O00519 2/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL13117665 0.89 DGAT1 (0.42) HSD17B10RAB9ADGAT1HRH3OPRM1
SCHEMBL13117702 0.86 DGAT1 (0.47) HSD17B10RAB9ADGAT1HRH3OPRM1
SCHEMBL13117596 0.86 DGAT1 (0.47) HSD17B10RAB9ADGAT1HRH3OPRM1
SCHEMBL13117885 0.75 DGAT1 (0.40) DGAT1HRH3
SCHEMBL13117655 0.75 PDE4D (0.39) DGAT1EPHX2OPRM1MEN1KMT2A
SCHEMBL13117895 0.75 DGAT1 (0.34) DGAT1
SCHEMBL13117662 0.75 DGAT1 (0.37) DGAT1
SCHEMBL13117653 0.73 F10 (0.47) HSD17B10RAB9ADGAT1FAAHEPHX2
SCHEMBL13117660 0.71 CCR3 (0.42) DGAT1TRPV1FAAHEPHX2HRH3
SCHEMBL13117633 0.69 MC4R (0.38) RAB9AMEN1ALDH1A1KMT2A

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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