SCHEMBL4687113

SCHEMBL4687113

CCCCCNC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(N(Cc4ccccc4)C4CCNCC4)cc3)cc2)c(OCC)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MCHR1 Q99705 3/20 0.41
MAPT P10636 3/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
EPHX1 P07099 4/20 0.38
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CCR5 P51681 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
SCHEMBL4683524 0.92 MCHR1 (0.41) KMT2AMCHR1MAPTMEN1EPHX1
SCHEMBL4683022 0.91 MCHR1 (0.40) KMT2AMCHR1MAPTMEN1EPHX1
SCHEMBL4687107 0.88 MAPT (0.41) KMT2AMCHR1MAPTMEN1NPC1
SCHEMBL4686821 0.82 CHRM4 (0.48) KMT2AMCHR1MAPTMEN1NPC1
SCHEMBL4683021 0.81 TRPV1 (0.37) KMT2AMCHR1MAPTMEN1ALDH1A1
SCHEMBL4688079 0.80 MAPT (0.42) KMT2AMCHR1MAPTALDH1A1
SCHEMBL4683520 0.79 PKM (0.39) KMT2AMCHR1MAPTMEN1NPC1
SCHEMBL4683459 0.77 MAPT (0.45) KMT2AMCHR1MAPTMEN1NPC1
SCHEMBL4686962 0.76 CACNA1B (0.51) KMT2AMCHR1MAPTMEN1NPC1
SCHEMBL4232410 0.76 PKM (0.39) KMT2AMAPTMEN1NPC1ALDH1A1

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 disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed