SCHEMBL28853073

SCHEMBL28853073

CC(C)(C)C(=O)ON1CCC(CS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
CACNA1B Q00975 1/20 0.45
AOC2 O75106 2/20 0.45
TGFBR1 P36897 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPV4 Q9HBA0 3/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
MMP1 P03956 1/20 0.40
CNR1 P21554 1/20 0.39
EPHX2 P34913 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC6A9 P48067 1/20 0.39
KCNH2 Q12809 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
DRD2 P14416 1/20 0.38

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
SCHEMBL17942537 0.82 TGFBR1 (0.59) CACNA1BTGFBR1GPR119
SCHEMBL28045809 0.81 SLC2A1 (0.49) ALDH1A1
SCHEMBL17942381 0.79 CACNA1B (0.48) GAACACNA1BAOC2MEN1KMT2A
SCHEMBL27702431 0.78 KCNH2 (0.46) GAATGFBR1TRPV4CNR1KCNH2
SCHEMBL15103526 0.76 AOC2 (0.42) CACNA1BAOC2MEN1KMT2AGPR119
SCHEMBL28184649 0.76 AOC2 (0.37) CACNA1BAOC2HTR2AHTR2CALDH1A1
SCHEMBL27968804 0.75 HSD11B1 (0.56) GAAMEN1KMT2AALDH1A1
SCHEMBL27905942 0.75 INPP5A (0.35) AOC2GPR119
SCHEMBL28024325 0.75 GPR119 (0.33) AOC2ALDH1A1GPR119
SCHEMBL27579513 0.75 CARM1 (0.56) ALDH1A1

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
CN-107428719-A 4-methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) 迈奥卡迪亚公司 2017-12-01 CN disclosed