SCHEMBL3824600

SCHEMBL3824600

CCOC(=O)ON1CCCC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)c2cc(Br)ccc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CETP P11597 16/20 0.56
TACR1 P25103 3/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3826954 0.94 CETP (0.64) CETP
SCHEMBL1382256 0.89 CETP (0.59) CETPTACR1
SCHEMBL3824515 0.85 CETP (0.63) CETP
SCHEMBL3830222 0.84 CETP (0.53) CETPTACR1ALDH1A1SMN1; SMN2
SCHEMBL3829802 0.83 CETP (0.55) CETP
SCHEMBL3534091 0.82 CETP (0.68) CETP
SCHEMBL1384297 0.81 CETP (0.50) CETP
SCHEMBL6585798 0.80 CETP (0.71) CETP
SCHEMBL6585801 0.80 CETP (0.71) CETP
SCHEMBL1383056 0.80 CETP (0.58) CETPTACR1ALDH1A1SMN1; SMN2

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-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2009-09-09 EP claimed