SCHEMBL12200547

SCHEMBL12200547

Cc1cc(C)cc(CN(c2cccnc2)C2CCCN(C(=O)OC(C)C)c3cc(C(F)(F)F)c(C)cc32)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
CETP P11597 16/20 0.36
CYP3A4 P08684 2/20 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
SCHEMBL5635249 0.94 CETP (0.43) CETP
SCHEMBL12201507 0.86 HTR2C (0.37) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL2474951 0.81 GPBAR1 (0.39) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL12200355 0.81 MEN1 (0.40) CETP
SCHEMBL2475748 0.78 HTR2C (0.46) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL1380240 0.76 CETP (0.44) CETP
SCHEMBL1382424 0.76 CETP (0.61) CETP
SCHEMBL2474218 0.76 CETP (0.61) CETP
SCHEMBL3535032 0.76 CETP (0.54) CETP
SCHEMBL3537448 0.76 CETP (0.54) CETP

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-1761522-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2011-10-12 EP disclosed