SCHEMBL165514

SCHEMBL165514

C[C@@H](O)[C@@H](N)C(NCc1cccc(OC(F)(F)F)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK14 Q16539 1/20 0.46
CETP P11597 9/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42
GLS O94925 2/20 0.42
CASR P41180 2/20 0.42

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
SCHEMBL6892550 0.87 EPHX1 (0.45) MEN1KMT2ACASR
SCHEMBL165645 0.86 CASR (0.57) MEN1KMT2ACASR
SCHEMBL4692485 0.86 CASR (0.57) MEN1KMT2ACASR
SCHEMBL164926 0.83 HTR2A (0.50)
SCHEMBL6895745 0.80 LMNA (0.47) MEN1KMT2ACASR
SCHEMBL14966126 0.79 CETP (0.52) MEN1KMT2AMAPK14CETPKDM5A
SCHEMBL3645149 0.79 BCHE (0.52) MEN1KMT2ACASR
SCHEMBL6892337 0.79 LMNA (0.52) MEN1KMT2A
SCHEMBL6892177 0.78 ATM (0.42) CASR
Hydrochloric Acid SCHEMBL7112448 0.78 MEN1 (0.43) MEN1KMT2ACASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed