SCHEMBL4787089

SCHEMBL4787089

CCCCCNC(=O)Nc1ccc(Oc2ccc(N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.61
ALDH1A1 P00352 2/20 0.59
HTT P42858 2/20 0.59
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
KMT2A Q03164 2/20 0.51
EPHX2 P34913 1/20 0.51
GHSR Q92847 5/20 0.51
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.50
KDR P35968 1/20 0.49

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
SCHEMBL14424471 0.92 EPHX1 (0.71) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL21237623 0.90 EPHX1 (0.74) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL12362189 0.88 EPHX1 (0.65) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL14424456 0.87 HDAC1 (0.65) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL4689241 0.87 HDAC1 (0.64) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL7198019 0.86 EPHX1 (0.63) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL7197441 0.86 EPHX1 (0.63) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL4785993 0.86 EPHX1 (0.53) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL4787348 0.86 EPHX2 (0.55) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL4786969 0.86 EPHX2 (0.52) 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