SCHEMBL4686962

SCHEMBL4686962

CCCCCNC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(CN4CCN(CC)CC4)cc3)cc2)c(OCC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
MCHR2 Q969V1 1/20 0.47
MCHR1 Q99705 1/20 0.47
MAPK14 Q16539 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
TNF P01375 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL4233484 0.86 CACNA1B (0.52) CACNA1BAPBA1SAE1UBA2L3MBTL1
SCHEMBL4688079 0.85 MAPT (0.42) MCHR1RAB9AMAPTLMNAKMT2A
SCHEMBL4686821 0.84 CHRM4 (0.48) CACNA1BAPBA1SAE1UBA2L3MBTL1
SCHEMBL4683677 0.83 CACNA1B (0.49) CACNA1BAPBA1SAE1UBA2L3MBTL1
SCHEMBL4683722 0.82 MAPT (0.49) MCHR2MCHR1MAPTLMNASMN1; SMN2
SCHEMBL4683469 0.81 MCHR1 (0.52) L3MBTL1MCHR2MCHR1NPC1MAPT
SCHEMBL4682919 0.79 HDAC1 (0.51) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL4686354 0.78 CCR3 (0.46) MCHR2MCHR1MAPTLMNAKMT2A
SCHEMBL4683401 0.78 CHRM4 (0.51) L3MBTL1MCHR2MCHR1NPC1RAB9A
SCHEMBL4787221 0.77 EPHX1 (0.52) MCHR1MAPTKMT2AALDH1A1

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