SCHEMBL7533964

SCHEMBL7533964

CC(C)(C)OC(=O)N1CCC(Nc2nc(-c3cc[c]cc3)cs2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.51
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
USP30 Q70CQ3 3/20 0.47
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46
GPR119 Q8TDV5 1/20 0.46
IDH1 O75874 1/20 0.45
IDH2 P48735 1/20 0.45
SYK P43405 1/20 0.44

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
SCHEMBL6182814 0.88 ITGB3 (0.54) ENPP2ALDH1A1NPC1RAB9AMAPT
SCHEMBL25140726 0.82 ENPP2 (0.53) ENPP2USP30IDH1SYK
SCHEMBL6182683 0.77 GPR119 (0.45) ENPP2ITGB3ITGA2BGPR119
SCHEMBL23019702 0.76 LMNA (0.59) ENPP2ALDH1A1RAB9AMAPTMAPK1
SCHEMBL18124167 0.76 LMNA (0.59) ENPP2ALDH1A1RAB9AMAPTMAPK1
SCHEMBL3900560 0.76 ALDH1A1 (0.47) ENPP2ALDH1A1NPC1RAB9AMAPT
SCHEMBL8318198 0.76 HDAC3 (0.50) ALDH1A1NPC1RAB9AMAPT
SCHEMBL26775806 0.75 USP30 (0.46) ENPP2ALDH1A1NPC1RAB9AMAPT
SCHEMBL6184939 0.75 ENPP2 (0.61) ENPP2ALDH1A1NPC1RAB9AMAPT
SCHEMBL21876063 0.75 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AMAPTMAPK1

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-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed