SCHEMBL4788024

SCHEMBL4788024

CCC(CC)NC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])c(OC)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
HTT P42858 1/20 0.50
POLB P06746 2/20 0.47
RAF1 P04049 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MYOC Q99972 1/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MTNR1B P49286 1/20 0.45
PDGFRA P16234 2/20 0.44
KDR P35968 2/20 0.44
LMNA P02545 3/20 0.43

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
SCHEMBL4233933 0.88 RAF1 (0.49) POLBRAF1MAPTMEN1KMT2A
SCHEMBL4236682 0.82 PKM (0.64) PKMTAS1R3TAS1R1RAF1MAPK1
SCHEMBL4785954 0.82 KMT2A (0.70) PKMHTTPOLBMAPTMEN1
SCHEMBL4690580 0.82 MEN1 (0.49) HTTPOLBRAF1MAPTMEN1
Ammonia Solution, Strong SCHEMBL4235357 0.81 PKM (0.63) PKMTAS1R3TAS1R1RAF1MAPK1
SCHEMBL4788031 0.81 KDR (0.52) HTTRAF1MAPTMEN1KMT2A
SCHEMBL4787992 0.80 KMT2A (0.55) PKMTAS1R3TAS1R1HTTPOLB
SCHEMBL4232078 0.80 KMT2A (0.55) PKMTAS1R3TAS1R1HTTPOLB
SCHEMBL4689054 0.78 TAS1R3 (0.72) PKMTAS1R3TAS1R1HTTPOLB
SCHEMBL4236591 0.77 PKM (0.53) PKMTAS1R3TAS1R1HTTPOLB

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