SCHEMBL4785572

SCHEMBL4785572

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
EPHX2 P34913 2/20 0.47
MTNR1B P49286 1/20 0.47
KDR P35968 1/20 0.46
GHSR Q92847 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 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
SCHEMBL4784128 0.87 EPHX1 (0.47) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL4787430 0.87 EPHX2 (0.54) EPHX1EPHX2KMT2AMEN1
SCHEMBL4786348 0.85 KDR (0.55) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL4787089 0.84 EPHX1 (0.61) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL12362189 0.83 EPHX1 (0.65) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL4783711 0.82 EPHX2 (0.55) EPHX1ALDH1A1HTTEPHX2KDR
SCHEMBL4786985 0.81 QPCT (0.46) EPHX1HDAC1HDAC2EPHX2KDR
SCHEMBL4787105 0.80 EPHX1 (0.52) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL4689241 0.80 HDAC1 (0.64) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL7197441 0.79 EPHX1 (0.63) EPHX1ALDH1A1HTTHDAC1HDAC2

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