SCHEMBL30833440

SCHEMBL30833440

Cn1nc(C(F)(F)F)cc1SCC1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
PDE8B O95263 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 4/20 0.38
KDM1A O60341 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 2/20 0.36
CHEK2 O96017 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
OPRD1 P41143 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL30833402 0.87 PDE8B (0.40) GAAPDE8BALDH1A1MAPTKDM1A
SCHEMBL30833501 0.85 PDE8B (0.38) PDE8BALDH1A1MAPTKDM1AATM
SCHEMBL30833476 0.85 PDE8B (0.43) PDE8BALDH1A1MAPTKDM1AATM
SCHEMBL30833443 0.80 TRPV1 (0.40) GAAPDE8BTRPV1MAPTKDM1A
SCHEMBL30833484 0.78 PDE8B (0.39) PDE8BTRPV1ALDH1A1MAPTKDM1A
SCHEMBL30833435 0.74 PDE8B (0.38) PDE8BALDH1A1MAPTKDM1AATM
SCHEMBL5180568 0.73 KDM1A (0.48) PDE8BALDH1A1KDM1AATMTSHR
SCHEMBL30833513 0.73 PDE8B (0.38) PDE8BALDH1A1MAPTKDM1AATM
SCHEMBL5168666 0.73 MAPT (0.43) TRPV1ALDH1A1MAPTTSHRMEN1
SCHEMBL30833475 0.72 PDE8B (0.39) PDE8BALDH1A1MAPTKDM1AATM

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
CN-118164961-A 4-Methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) 迈奥卡迪亚公司 2024-06-11 CN disclosed
CN-111393414-B 4-Methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) 迈奥卡迪亚公司 2024-05-07 CN disclosed