SCHEMBL4787186

SCHEMBL4787186

CCCCCNC(=O)Nc1ccc(Oc2ccc(N)cc2)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.49
S1PR1 P21453 2/20 0.48
SLC6A3 Q01959 1/20 0.48
EPHX2 P34913 2/20 0.46
RAF1 P04049 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
CDK8 P49336 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDR P35968 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
SCHEMBL4785583 0.94 EPHX1 (0.49) EPHX1S1PR1SLC6A3EPHX2ALDH1A1
SCHEMBL4682559 0.90 SLC6A3 (0.51) EPHX1S1PR1SLC6A3EPHX2RAF1
SCHEMBL4787105 0.86 EPHX1 (0.52) EPHX1EPHX2ALDH1A1HTTMEN1
SCHEMBL4788499 0.86 TBXA2R (0.54) EPHX1MEN1KMT2A
SCHEMBL4785993 0.85 EPHX1 (0.53) EPHX1EPHX2ALDH1A1HTTKDR
SCHEMBL4787348 0.85 EPHX2 (0.55) EPHX1EPHX2ALDH1A1HTTKDR
SCHEMBL4786099 0.84 EPHX1 (0.52) EPHX1EPHX2ALDH1A1HTTMEN1
SCHEMBL5149417 0.84 EPHX1 (0.52) EPHX1EPHX2ALDH1A1HTTKMT2A
SCHEMBL4786912 0.84 KDR (0.54) EPHX1EPHX2ALDH1A1HTTMEN1
SCHEMBL4783970 0.84 EPHX2 (0.60) EPHX1EPHX2ALDH1A1HTTMEN1

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