SCHEMBL4785993

SCHEMBL4785993

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.53
EPHX2 P34913 4/20 0.49
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
KDR P35968 1/20 0.46
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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 0.92 EPHX1 (0.49) EPHX1EPHX2ALDH1A1HTTHDAC1
SCHEMBL4787348 0.89 EPHX2 (0.55) EPHX1EPHX2ALDH1A1HTTHDAC1
SCHEMBL4787476 0.88 EPHX1 (0.52) EPHX1EPHX2ALDH1A1HTTHDAC1
SCHEMBL4786912 0.88 KDR (0.54) EPHX1EPHX2ALDH1A1HTTKDR
SCHEMBL4786099 0.88 EPHX1 (0.52) EPHX1EPHX2ALDH1A1HTTHDAC1
SCHEMBL4787105 0.88 EPHX1 (0.52) EPHX1EPHX2ALDH1A1HTTHDAC1
SCHEMBL5149417 0.88 EPHX1 (0.52) EPHX1EPHX2ALDH1A1HTTHDAC1
SCHEMBL4783970 0.88 EPHX2 (0.60) EPHX1EPHX2ALDH1A1HTT
SCHEMBL5149841 0.86 EPHX1 (0.50) EPHX1EPHX2ALDH1A1HTTHDAC1
SCHEMBL4787668 0.86 MAPT (0.51) EPHX1EPHX2ALDH1A1HTTHDAC1

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