SCHEMBL4785276

SCHEMBL4785276

CCCCCNC(=O)Nc1ccc(Oc2ccc(NCC(F)(F)F)cc2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.50
EPHX1 P07099 4/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
QPCT Q16769 3/20 0.46
POLB P06746 1/20 0.45
EPHX2 P34913 1/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC6A3 Q01959 1/20 0.43
PNLIP P16233 1/20 0.42
TBXA2R P21731 1/20 0.42

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
SCHEMBL4787223 0.91 KDR (0.49) KDREPHX1MEN1GAAMAPT
SCHEMBL4787374 0.89 KDR (0.54) KDREPHX1MEN1GAAMAPT
SCHEMBL4787261 0.88 KDR (0.52) KDREPHX1MEN1GAAMAPT
SCHEMBL4689117 0.87 CYP1A2 (0.57) KDREPHX1MEN1GAAMAPT
SCHEMBL4788099 0.86 KDR (0.50) KDREPHX1MEN1GAAMAPT
SCHEMBL4683734 0.85 KDR (0.56) KDREPHX1MEN1GAAMAPT
SCHEMBL4786912 0.85 KDR (0.54) KDREPHX1MEN1GAAMAPT
SCHEMBL5149857 0.85 KDR (0.56) KDREPHX1MEN1GAAMAPT
SCHEMBL4683716 0.85 KDR (0.56) KDREPHX1MEN1GAAMAPT
SCHEMBL4687419 0.83 MEN1 (0.56) KDREPHX1MEN1GAAMAPT

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