SCHEMBL30833505

SCHEMBL30833505

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE8B O95263 1/20 0.38
CHEK2 O96017 1/20 0.37
APP P05067 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
HRH2 P25021 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
DRD3 P35462 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37

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 0.86 PDE8B (0.40) PDE8BCHEK2APPHTR1AADRA2A
SCHEMBL30833443 0.86 TRPV1 (0.40) MEN1KMT2APDE8BCHEK2APP
SCHEMBL30833488 0.85 PDE8B (0.42) PDE8BCHEK2APPHTR1AADRA2A
SCHEMBL30833482 0.82 MEN1 (0.40) MEN1KMT2APDE8BNR1H2NR1H3
SCHEMBL30833399 0.81 MEN1 (0.38) MEN1KMT2ATRPV1NPC1ALDH1A1
SCHEMBL30833501 0.80 PDE8B (0.38) MEN1KMT2APDE8BCHEK2KDM1A
SCHEMBL30833455 0.79 PDE8B (0.37) MEN1KMT2APDE8BCHEK2APP
SCHEMBL30833401 0.77 KDM1A (0.44) MEN1KMT2APDE8BCHEK2APP
SCHEMBL30833474 0.75 KDM1A (0.39) MEN1KMT2APDE8BCHEK2APP
SCHEMBL30833395 0.73 APP (0.46) MEN1KMT2AAPPHTR1AADRA2A

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