SCHEMBL30833443

SCHEMBL30833443

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
APP P05067 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
PSEN1 P49768 1/20 0.39

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 0.87 PDE8B (0.40) POLBAPPHTR1AADRA2ADRD2
SCHEMBL30833505 0.86 MEN1 (0.38) TRPV1POLBAPPHTR1AADRA2A
SCHEMBL30833488 0.85 PDE8B (0.42) POLBAPPHTR1AADRA2ADRD2
SCHEMBL30833506 0.82 SFRP1 (0.39) TRPV1GAAWNT3SFRP1STS
SCHEMBL17949127 0.81 STS (0.47) SFRP1STS
SCHEMBL30833502 0.80 MEN1 (0.42) TRPV1GAAWNT3SFRP1STS
SCHEMBL30833440 0.80 GAA (0.40) TRPV1POLBGAAPDE8BCHEK2
SCHEMBL30833474 0.80 KDM1A (0.39) TRPV1POLBAPPHTR1AADRA2A
SCHEMBL30833390 0.79 OPRD1 (0.44) TRPV1APPHTR1AADRA2ADRD2
SCHEMBL30833395 0.76 APP (0.46) APPHTR1AADRA2ADRD2ADRA2B

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