SCHEMBL6230084

SCHEMBL6230084

CC(C)(N)CC(=O)N1Cc2c(Cl)ccc(Cl)c2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.33
CACNA1H O95180 1/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
KMT2A Q03164 1/20 0.31
ME2 P23368 2/20 0.31
ME1 P48163 2/20 0.31
ME3 Q16798 2/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR5A P47898 3/20 0.30
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL6229281 0.83 CYP1A2 (0.32) CACNA1HCYP1A2
SCHEMBL6227541 0.81 DPP4 (0.35) CACNA1HALDH1A1RAB9AKMT2ADPP4
SCHEMBL5068829 0.77 NOTUM (0.52) DPP4DPP7KDM4E
SCHEMBL6234012 0.76 HDAC8 (0.42) DPP4DPP7
SCHEMBL6230180 0.76 TRAP1 (0.44) ALDH1A1RAB9ANPC1KMT2ADPP4
SCHEMBL6232130 0.75 TRAP1 (0.38) DPP4DPP7
SCHEMBL6231874 0.74 DPP8 (0.54) DPP4DPP7
SCHEMBL6229746 0.72 ABHD6 (0.55) CYP1A2HTR2A
SCHEMBL6229255 0.71 DPP8 (0.34) CACNA1HCYP1A2CHRM4DPP4DPP7
SCHEMBL6229458 0.71 DPP8 (0.51) KMT2ADPP4DPP7

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-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed