SCHEMBL1397392

SCHEMBL1397392

CC1(C)CCc2nc(CN(CCc3ccc(Cl)c(Cl)c3)C(=O)c3cc(Cl)cc4cc[nH]c34)sc2C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.33
C5AR1 P21730 1/20 0.31
NR1I3 Q14994 1/20 0.30

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
SCHEMBL1397699 0.87 C5AR1 (0.31) EEF2KC5AR1NR1I3
SCHEMBL1397672 0.86 EEF2K (0.30) EEF2KNR1I3
SCHEMBL1397763 0.78 C5AR1 (0.32) C5AR1
SCHEMBL1397377 0.77 C5AR1 (0.31) C5AR1
SCHEMBL5633321 0.75 NR1I3 (0.31) NR1I3
SCHEMBL1397598 0.75 GRIN2B (0.31) C5AR1
SCHEMBL1397533 0.75 TP53 (0.31) NR1I3
SCHEMBL1397674 0.75 LMNA (0.33) NR1I3
SCHEMBL1397826 0.74 C5AR1 (0.35) C5AR1NR1I3
SCHEMBL1397670 0.74 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed