SCHEMBL13117653

SCHEMBL13117653

O=C(NCCNC(=O)c1ccc(Cl)s1)c1ccc(O[C@@H]2CC[C@@H](F)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.47
▸ MAPK1 P28482 1/20 0.43
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ DGAT1 O75907 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL10186303 0.88 F10 (0.47) F10MAPK1HPGDTSHRHRH3
SCHEMBL10184557 0.88 F10 (0.47) F10MAPK1HPGDTSHRHRH3
SCHEMBL10184880 0.85 DGAT1 (0.49) F10MAPK1HPGDTSHRHRH3
SCHEMBL10184804 0.82 F10 (0.49) F10MAPK1HPGDHRH3L3MBTL1
SCHEMBL13117660 0.79 CCR3 (0.42) HPGDFAAHEPHX2HRH3KMT2A
SCHEMBL10186309 0.77 F10 (0.42) F10MAPK1HRH3DGAT1NPC1
SCHEMBL10185427 0.74 DGAT1 (0.49) FAAHEPHX2HRH3HSD17B10L3MBTL1
SCHEMBL13117652 0.73 HSD17B10 (0.38) FAAHEPHX2HRH3HSD17B10KMT2A
SCHEMBL10186462 0.73 DGAT1 (0.48) FAAHEPHX2HRH3HSD17B10L3MBTL1
SCHEMBL10185146 0.72 MAPK1 (0.42) F10MAPK1HPGDHRH3HSD17B10

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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