SCHEMBL4684561

SCHEMBL4684561

CCCCCNC(=O)Nc1cccc(Oc2ccc(NC(=O)c3cccc(OC4CCN(C(C)C)CC4)c3)cc2COC)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 3/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
OPRK1 P41145 2/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
PDE4A P27815 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PABPC1 P11940 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL4233751 0.88 SLC5A7 (0.44) SLC5A7OPRK1MEN1KMT2AHRH3
SCHEMBL4784378 0.87 SLC5A7 (0.45) SLC5A7NPC1RAB9APDE4A
SCHEMBL13699306 0.84 SLC5A7 (0.44) SLC5A7OPRK1PKMHRH3
SCHEMBL4683707 0.80 HRH3 (0.41) SLC5A7HRH3
SCHEMBL4687069 0.80 HRH3 (0.48) SLC5A7MEN1KMT2AHRH3
SCHEMBL4688677 0.80 HRH3 (0.48) SLC5A7RAB9AHRH3
SCHEMBL4683166 0.80 HRH3 (0.48) SLC5A7MEN1KMT2AHRH3
SCHEMBL4688687 0.79 CCR3 (0.48) MEN1KMT2AHRH3
SCHEMBL4236439 0.78 SLC5A7 (0.45) SLC5A7OPRK1MEN1KMT2AHRH3
SCHEMBL4683530 0.78 OPRK1 (0.37) NPC1RAB9AOPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP claimed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO claimed