SCHEMBL4786463

SCHEMBL4786463

CCCCCNC(=O)Nc1ccc(Oc2ccc(N)cc2OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.56
EPHX1 P07099 5/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MTNR1B P49286 2/20 0.46
CNR1 P21554 1/20 0.46
EPHX2 P34913 1/20 0.46
TBXA2R P21731 1/20 0.46
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45

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 0.94 KDR (0.54) KDREPHX1HTTALDH1A1MEN1
SCHEMBL4786099 0.89 EPHX1 (0.52) KDREPHX1HTTALDH1A1MEN1
SCHEMBL4786969 0.88 EPHX2 (0.52) KDREPHX1HTTALDH1A1MAPT
SCHEMBL4683734 0.87 KDR (0.56) KDREPHX1HTTALDH1A1MEN1
SCHEMBL5149857 0.87 KDR (0.56) KDREPHX1HTTALDH1A1MEN1
SCHEMBL4683716 0.87 KDR (0.56) KDREPHX1HTTALDH1A1MEN1
SCHEMBL5184123 0.86 PKM (0.53) KDREPHX1HTTALDH1A1KMT2A
SCHEMBL4799886 0.86 KDR (0.47) KDREPHX1HTTALDH1A1KMT2A
SCHEMBL4786779 0.85 EPHX2 (0.52) KDREPHX1HTTALDH1A1MEN1
SCHEMBL4687419 0.85 MEN1 (0.56) KDREPHX1HTTALDH1A1MEN1

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