SCHEMBL30833401

SCHEMBL30833401

CC(C)(C)OC(=O)N1CCCCC1CS(=O)(=O)c1ccccc1C(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
OPRD1 P41143 1/20 0.40
PRMT5 O14744 1/20 0.39
HCRTR2 O43614 1/20 0.39
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

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
SCHEMBL30833463 0.80 MEN1 (0.43) KDM1ANPC1MEN1KMT2AHCRTR2
SCHEMBL29529409 0.80 KDM4E (0.50)
SCHEMBL17948970 0.80 KDM4E (0.50)
SCHEMBL30833439 0.80 KDM1A (0.44) KDM1AMEN1KMT2AOPRD1PRMT5
SCHEMBL30833395 0.78 APP (0.46) KDM1ANPC1RAB9AMEN1KMT2A
SCHEMBL30833474 0.78 KDM1A (0.39) KDM1ANPC1RAB9AMEN1KMT2A
SCHEMBL30833390 0.77 OPRD1 (0.44) KDM1ANPC1RAB9AMEN1KMT2A
SCHEMBL30833505 0.77 MEN1 (0.38) KDM1ANPC1RAB9AMEN1KMT2A
SCHEMBL30833473 0.75 GPR119 (0.42) KDM1ANPC1RAB9AMEN1KMT2A
SCHEMBL378749 0.74 PDE8B (0.47) KDM1ANPC1RAB9AMEN1KMT2A

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