SCHEMBL6063113

SCHEMBL6063113

Cc1cccc(CCN(CC(O)c2nc(C(=O)N(C)Cc3ccccc3)co2)C(=O)CCCCNC(=O)OCc2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.36
PTGER4 P35408 4/20 0.36
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
BACE1 P56817 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL6061842 0.90 MAPT (0.38) FOLH1PTGER4HTTMAPTTAAR1
SCHEMBL7042861 0.73 FOLH1 (0.36) FOLH1PTGER4HTTMAPT
SCHEMBL7049142 0.72 ANPEP (0.37) FOLH1PTGER4MAPT
SCHEMBL7042122 0.71 FOLH1 (0.35) FOLH1PTGER4MAPT
SCHEMBL7046400 0.71 PTGER4 (0.38) FOLH1PTGER4HTTMAPT
SCHEMBL6063217 0.70 BACE1 (0.39) MAPTTAAR1POLBNPC1RAB9A
SCHEMBL7185046 0.69 HSP90AA1 (0.38) FOLH1PTGER4HTTMAPTKMT2A
SCHEMBL7045972 0.69 TP53 (0.38) FOLH1PTGER4HTTMAPTKMT2A
SCHEMBL7046902 0.69 HSP90AA1 (0.40) FOLH1PTGER4MAPTKMT2AL3MBTL1
SCHEMBL10110752 0.64 HTT (0.54) HTTMAPTKMT2AALDH1A1POLB

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-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed