SCHEMBL4786348

SCHEMBL4786348

CCCCCNC(=O)Nc1ccc(Oc2ccc(N)c(OC)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.55
MTNR1B P49286 2/20 0.52
EPHX1 P07099 8/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
MTNR1A P48039 1/20 0.47
EPHX2 P34913 1/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL4785572 0.85 EPHX1 (0.51) KDRMTNR1BEPHX1ALDH1A1HTT
SCHEMBL4786463 0.83 KDR (0.56) KDRMTNR1BEPHX1ALDH1A1HTT
SCHEMBL4787089 0.83 EPHX1 (0.61) KDREPHX1ALDH1A1HTTHDAC1
SCHEMBL4788031 0.83 KDR (0.52) KDRMTNR1BEPHX1ALDH1A1HTT
SCHEMBL4689064 0.83 KMT2A (0.58) KDRMTNR1BEPHX1ALDH1A1HTT
SCHEMBL12362189 0.82 EPHX1 (0.65) KDRMTNR1BEPHX1ALDH1A1HTT
SCHEMBL4786912 0.81 KDR (0.54) KDREPHX1ALDH1A1HTTEPHX2
SCHEMBL4786099 0.81 EPHX1 (0.52) KDREPHX1ALDH1A1HTTHDAC1
SCHEMBL4236682 0.80 PKM (0.64) MTNR1BALDH1A1HDAC1MTNR1APKM
SCHEMBL4683734 0.79 KDR (0.56) KDREPHX1ALDH1A1HTTEPHX2

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