SCHEMBL1397377

SCHEMBL1397377

CC1(C)CCc2sc(CN(CCc3ccc(F)cc3)C(=O)c3cc(Cl)cc4cc[nH]c34)cc2C1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
F7 P08709 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL1397763 0.95 C5AR1 (0.32) C5AR1F2F10F7FFAR4
SCHEMBL1397672 0.91 EEF2K (0.30)
SCHEMBL1397708 0.88
SCHEMBL1397670 0.88 ALDH1A1 (0.31)
SCHEMBL1397699 0.86 C5AR1 (0.31) C5AR1
SCHEMBL1397598 0.83 GRIN2B (0.31) C5AR1
SCHEMBL1397657 0.81 CENPE (0.30)
SCHEMBL1397692 0.80 NLRP3 (0.31) C5AR1FFAR4
SCHEMBL1397700 0.78 MCL1 (0.31)
SCHEMBL1397674 0.77 LMNA (0.33)

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