SCHEMBL4787668

SCHEMBL4787668

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
HSD17B10 Q99714 1/20 0.51
EPHX1 P07099 10/20 0.50
TBXA2R P21731 1/20 0.47
EPHX2 P34913 3/20 0.47
KDR P35968 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PNLIP P16233 1/20 0.43
C5 P01031 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
SCHEMBL4787476 0.94 EPHX1 (0.52) MAPTEPHX1TBXA2REPHX2KDR
SCHEMBL4786912 0.89 KDR (0.54) MAPTHSD17B10EPHX1EPHX2KDR
SCHEMBL4786099 0.87 EPHX1 (0.52) MAPTHSD17B10EPHX1EPHX2KDR
SCHEMBL4787491 0.86 TBXA2R (0.62) MAPTEPHX1TBXA2R
SCHEMBL4787348 0.86 EPHX2 (0.55) MAPTEPHX1TBXA2REPHX2KDR
SCHEMBL4785993 0.86 EPHX1 (0.53) MAPTHSD17B10EPHX1EPHX2KDR
SCHEMBL5149417 0.85 EPHX1 (0.52) EPHX1TBXA2REPHX2KDRALDH1A1
SCHEMBL4783970 0.85 EPHX2 (0.60) EPHX1EPHX2ALDH1A1HTTPNLIP
SCHEMBL4787105 0.85 EPHX1 (0.52) EPHX1TBXA2REPHX2KDRALDH1A1
SCHEMBL5149841 0.83 EPHX1 (0.50) EPHX1EPHX2KDRALDH1A1HTT

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