SCHEMBL30833488

SCHEMBL30833488

Cn1nc(C2CC2)cc1S(=O)(=O)CC1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.42
KDM1A O60341 1/20 0.39
CHEK2 O96017 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
ATM Q13315 2/20 0.36
APP P05067 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL30833510 0.88 PDE8B (0.40) PDE8BKDM1ACHEK2ATMAPP
SCHEMBL30833443 0.85 TRPV1 (0.40) PDE8BKDM1ACHEK2ATMAPP
SCHEMBL30833505 0.85 MEN1 (0.38) PDE8BKDM1ACHEK2ALOX5APFEN1
SCHEMBL17949312 0.81 GPR119 (0.49) GPR119
SCHEMBL30833490 0.80 WNT3 (0.35) PDE8BHCRTR2GPR119NR1H2NR1H3
SCHEMBL30833476 0.79 PDE8B (0.43) PDE8BKDM1ACHEK2ALOX5APFEN1
SCHEMBL30833474 0.74 KDM1A (0.39) PDE8BKDM1ACHEK2ALOX5APFEN1
SCHEMBL378749 0.73 PDE8B (0.47) PDE8BKDM1AATMNPC1RAB9A
SCHEMBL25936315 0.73 PDE8B (0.47) PDE8BKDM1AATMNPC1RAB9A
SCHEMBL12528533 0.73 PDE8B (0.47) PDE8BKDM1AATMNPC1RAB9A

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