SCHEMBL4787547

SCHEMBL4787547

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
EPHX1 P07099 10/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
KDR P35968 2/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL4783961 0.88 EPHX1 (0.49) EPHX2EPHX1ALDH1A1MAPTHTT
SCHEMBL4786779 0.87 EPHX2 (0.52) EPHX2EPHX1ALDH1A1MAPTHTT
SCHEMBL4799886 0.86 KDR (0.47) EPHX2EPHX1ALDH1A1HTTHDAC1
SCHEMBL4786969 0.83 EPHX2 (0.52) EPHX2EPHX1ALDH1A1MAPTHTT
SCHEMBL4687749 0.82 EPHX1 (0.49) EPHX2EPHX1ALDH1A1MAPTHTT
SCHEMBL4242160 0.82 PKM (0.46) ALDH1A1MAPTKDR
SCHEMBL4787348 0.81 EPHX2 (0.55) EPHX2EPHX1ALDH1A1MAPTHTT
SCHEMBL4787593 0.81 EPHX1 (0.54) EPHX2EPHX1ALDH1A1HTT
SCHEMBL4786746 0.80 EPHX1 (0.47) EPHX2EPHX1ALDH1A1HTTHDAC1
SCHEMBL4785993 0.79 EPHX1 (0.53) EPHX2EPHX1ALDH1A1MAPTHTT

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