SCHEMBL4786099

SCHEMBL4786099

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.52
KDR P35968 2/20 0.52
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
QPCT Q16769 3/20 0.49
POLB P06746 1/20 0.48
EPHX2 P34913 1/20 0.48
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL4786912 0.96 KDR (0.54) EPHX1KDRHTTMEN1GAA
SCHEMBL4786463 0.89 KDR (0.56) EPHX1KDRHTTMEN1GAA
SCHEMBL4787476 0.89 EPHX1 (0.52) EPHX1KDRHTTMAPTKMT2A
SCHEMBL4785993 0.88 EPHX1 (0.53) EPHX1KDRHTTMAPTEPHX2
SCHEMBL4787348 0.88 EPHX2 (0.55) EPHX1KDRHTTMAPTEPHX2
SCHEMBL4687419 0.87 MEN1 (0.56) EPHX1KDRHTTMEN1GAA
SCHEMBL4787668 0.87 MAPT (0.51) EPHX1KDRHTTMAPTEPHX2
SCHEMBL4783970 0.87 EPHX2 (0.60) EPHX1HTTMEN1KMT2AEPHX2
SCHEMBL5149417 0.87 EPHX1 (0.52) EPHX1KDRHTTKMT2AEPHX2
SCHEMBL4787105 0.87 EPHX1 (0.52) EPHX1KDRHTTMEN1KMT2A

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