SCHEMBL27689582

SCHEMBL27689582

O=C(O)N1CCCCC1NC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ THRB P10828 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ EPHX1 P07099 5/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ DPP4 P27487 5/20 0.36
▸ FAP Q12884 4/20 0.36
▸ DPP7 Q9UHL4 4/20 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
SCHEMBL29588126 0.81 HTT (0.37) HTTALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL15392569 0.77 HPGD (0.37) HTTALDH1A1HSD17B10MAPT
SCHEMBL31722100 0.74 HCRTR2 (0.40) EPHX2DPP4FAPDPP7
SCHEMBL29424739 0.74 EPHX1 (0.50) HSD17B10SMN1; SMN2THRBATML3MBTL1
SCHEMBL15414815 0.73 RIPK1 (0.36) ALDH1A1HSD17B10POLBDPP4
SCHEMBL2732689 0.73 HPGD (0.38) ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL5312094 0.73 KMT2A (0.36) ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL21293929 0.71 DPP4 (0.40) EPHX2DPP4FAP
SCHEMBL4955982 0.71 BBOX1 (0.35) L3MBTL1POLBDPP4FAPDPP7
SCHEMBL27973416 0.71 POLB (0.34) ALDH1A1HSD17B10KDM4EL3MBTL1POLB

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-101039941-A Aminopiperidine derivatives, their preparation and use as melanocortin receptor agonists SANOFI AVENTIS (FR) 2007-09-19 — — CN disclosed
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