SCHEMBL4575327

SCHEMBL4575327

Oc1ccc(CCNCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.59
SLC6A5 Q9Y345 1/20 0.58
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
SCN8A Q9UQD0 1/20 0.50
EPHX2 P34913 3/20 0.48
LTA4H P09960 2/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
DRD4 P21917 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
SLC2A1 P11166 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.44
NR1H4 Q96RI1 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
SCHEMBL7729335 0.84 GPR84 (0.59) SLC6A5CA2EPHX2LTA4HL3MBTL1
SCHEMBL6638762 0.81 ADRB3 (0.59) EPHX2LTA4HADRB3MEN1KMT2A
SCHEMBL8348550 0.80 SCN8A (0.55) BCHESCN8AEPHX2MEN1KMT2A
SCHEMBL4575081 0.80 MTOR (0.56) BCHESLC6A5CA1CA2SCN8A
Hydrochloric Acid SCHEMBL6122751 0.78 SCN8A (0.54) BCHESCN8AEPHX2NR1H4
Hydrochloric Acid SCHEMBL7724235 0.78 EPHX2 (0.48) SLC6A5SCN8AEPHX2LTA4HGPR84
Hydrochloric Acid SCHEMBL5313712 0.78 SLC6A5 (0.55) BCHESLC6A5CA1CA2SCN8A
SCHEMBL4656040 0.78 SCN8A (0.59) SLC6A5SCN8AEPHX2MEN1KMT2A
SCHEMBL9903315 0.78 SCN8A (0.58) SLC6A5CA1CA2SCN8AEPHX2
SCHEMBL19243611 0.78 SCN8A (0.55) BCHESCN8AEPHX2NR1H4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed