SCHEMBL4786779

SCHEMBL4786779

CCCCCNC(=O)Nc1ccc(Oc2ccc(N)cc2C)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
QPCT Q16769 3/20 0.50
KDR P35968 2/20 0.48
EPHX1 P07099 7/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 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
SCHEMBL4683604 0.88 MAPT (0.52) EPHX2QPCTKDREPHX1POLB
SCHEMBL4786912 0.87 KDR (0.54) EPHX2QPCTKDREPHX1POLB
SCHEMBL4787547 0.87 EPHX2 (0.49) EPHX2KDREPHX1MAPTALDH1A1
SCHEMBL4786969 0.86 EPHX2 (0.52) EPHX2KDREPHX1MAPTALDH1A1
SCHEMBL4786463 0.85 KDR (0.56) EPHX2KDREPHX1MAPTALDH1A1
SCHEMBL5184123 0.84 PKM (0.53) EPHX2QPCTKDREPHX1POLB
SCHEMBL5183248 0.84 TBXA2R (0.56) EPHX2QPCTPOLBMAPTMEN1
SCHEMBL4787348 0.84 EPHX2 (0.55) EPHX2KDREPHX1MAPTALDH1A1
SCHEMBL4787593 0.83 EPHX1 (0.54) EPHX2EPHX1ALDH1A1HTTKMT2A
SCHEMBL14338677 0.83 EPHX1 (0.62) EPHX2QPCTEPHX1POLBMAPT

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 3 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-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed