SCHEMBL30833474

SCHEMBL30833474

Cn1cc(S(=O)(=O)CC2CCCCN2C(=O)OC(C)(C)C)c(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
PDE8B O95263 1/20 0.39
ATM Q13315 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
PRMT5 O14744 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
CHEK2 O96017 1/20 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

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
SCHEMBL30833453 0.82 WNT3 (0.38) WNT3SFRP1MEN1KMT2AALDH1A1
SCHEMBL30833382 0.81 SFRP1 (0.38) NPC1WNT3SFRP1MEN1KMT2A
SCHEMBL17942546 0.81 TGFBR1 (0.44)
SCHEMBL30833484 0.80 PDE8B (0.39) KDM1APDE8BATMTRPV1CHEK2
SCHEMBL30833454 0.80 KMT2A (0.40) PDE8BTRPV1WNT3SFRP1MEN1
SCHEMBL30833443 0.80 TRPV1 (0.40) KDM1APDE8BATMNPC1RAB9A
SCHEMBL30833401 0.78 KDM1A (0.44) KDM1APDE8BATMNPC1RAB9A
SCHEMBL30833390 0.78 OPRD1 (0.44) KDM1ANPC1RAB9ATRPV1APP
SCHEMBL30833510 0.76 PDE8B (0.40) KDM1APDE8BATMNPC1RAB9A
SCHEMBL30833395 0.75 APP (0.46) KDM1ANPC1RAB9AAPPHTR1A

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