SCHEMBL4787261

SCHEMBL4787261

CCCCCNC(=O)Nc1ccc(Oc2ccc(NCCOC)cc2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.52
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX1 P07099 4/20 0.49
QPCT Q16769 3/20 0.47
POLB P06746 1/20 0.46
EPHX2 P34913 2/20 0.46
PNLIP P16233 1/20 0.46
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FAAH O00519 1/20 0.44
TBXA2R P21731 1/20 0.44

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
SCHEMBL4786697 0.93 EPHX1 (0.48) KDRHTTKMT2AEPHX1EPHX2
SCHEMBL4788099 0.92 KDR (0.50) KDRMEN1GAAMAPTHTT
SCHEMBL4787374 0.91 KDR (0.54) KDRMEN1GAAMAPTHTT
SCHEMBL4785276 0.88 KDR (0.50) KDRMEN1GAAMAPTHTT
SCHEMBL4787223 0.87 KDR (0.49) KDRMEN1GAAMAPTHTT
SCHEMBL4784915 0.87 EPHX1 (0.54) KDRGAAMAPTHTTKMT2A
SCHEMBL4683716 0.86 KDR (0.56) KDRMEN1GAAMAPTHTT
SCHEMBL4786912 0.86 KDR (0.54) KDRMEN1GAAMAPTHTT
SCHEMBL4683734 0.86 KDR (0.56) KDRMEN1GAAMAPTHTT
SCHEMBL5149857 0.86 KDR (0.56) KDRMEN1GAAMAPTHTT

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