SCHEMBL4785583

SCHEMBL4785583

CCCCCNC(=O)Nc1ccc(Oc2ccc(N)cc2C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.49
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
EPHX2 P34913 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
KDR P35968 1/20 0.45
SLC6A3 Q01959 1/20 0.44
S1PR1 P21453 1/20 0.44
GHSR Q92847 3/20 0.43
ADRB3 P13945 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
SCHEMBL4787186 0.94 EPHX1 (0.49) EPHX1ALDH1A1HTTEPHX2MEN1
SCHEMBL4682559 0.88 SLC6A3 (0.51) EPHX1ALDH1A1HTTEPHX2MEN1
SCHEMBL4786969 0.85 EPHX2 (0.52) EPHX1ALDH1A1HTTEPHX2KMT2A
SCHEMBL4786463 0.84 KDR (0.56) EPHX1ALDH1A1HTTEPHX2MEN1
SCHEMBL4788499 0.82 TBXA2R (0.54) EPHX1MEN1KMT2A
SCHEMBL4787089 0.82 EPHX1 (0.61) EPHX1ALDH1A1HTTEPHX2KMT2A
SCHEMBL4787105 0.82 EPHX1 (0.52) EPHX1ALDH1A1HTTEPHX2MEN1
SCHEMBL4799886 0.82 KDR (0.47) EPHX1ALDH1A1HTTEPHX2KMT2A
SCHEMBL4228711 0.81 PKM (0.53) ALDH1A1EPHX2MEN1KMT2AKDR
SCHEMBL4787348 0.81 EPHX2 (0.55) EPHX1ALDH1A1HTTEPHX2HDAC1

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