SCHEMBL14319897

SCHEMBL14319897

CC[C@@H]1C[C@H](C)C[C@H](Cc2ccc(F)cc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.50
CCR3 P51677 1/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM1A O60341 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL3950707 0.85 CETP (0.44) CETPCCR3MMP13MEN1KMT2A
SCHEMBL14319916 0.82 CHRM2 (0.47) CETPCHRM2CHRM1CHRM3
SCHEMBL14311123 0.81 CETP (0.50) CETPKDM1ADPP4
SCHEMBL13608939 0.80 CETP (0.60) CETP
SCHEMBL14309731 0.80 CETP (0.60) CETP
SCHEMBL3943995 0.80 CETP (0.60) CETP
SCHEMBL13608938 0.80 CETP (0.60) CETP
SCHEMBL3942600 0.78 CETP (0.58) CETP
SCHEMBL13609119 0.78 CETP (0.58) CETP
SCHEMBL14668817 0.76 CHRM2 (0.44) CETPCHRM2CHRM1CHRM3

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
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 WO disclosed