SCHEMBL30833386

SCHEMBL30833386

CC(C)(C)OC(=O)N1CCCCC1C(C)(F)S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.45
NR1H2 P55055 7/20 0.45
NR1H3 Q13133 6/20 0.44
WNT3 P56703 2/20 0.44
SFRP1 Q8N474 2/20 0.44
PSEN1 P49768 2/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
STS P08842 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

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
SCHEMBL30833419 0.93 RIPK1 (0.47) RIPK1NR1H2NR1H3WNT3SFRP1
SCHEMBL30833425 0.92 RIPK1 (0.45) RIPK1NR1H2NR1H3WNT3SFRP1
SCHEMBL30833520 0.82 MEN1 (0.44) NR1H2NR1H3WNT3SFRP1GPR119
SCHEMBL30833395 0.80 APP (0.46) RIPK1NR1H2NR1H3WNT3SFRP1
SCHEMBL17948857 0.80 GPR119 (0.52) SFRP1GPR119MEN1KMT2ASTS
SCHEMBL29530166 0.80 GPR119 (0.52) SFRP1GPR119MEN1KMT2ASTS
SCHEMBL30833494 0.80 NR1H2 (0.45) RIPK1NR1H2NR1H3GPR119MEN1
SCHEMBL28384353 0.79 NR1H2 (0.41) NR1H2NR1H3GPR119STSHTR2A
SCHEMBL30833481 0.79 NR1H3 (0.48) RIPK1NR1H2NR1H3WNT3SFRP1
SCHEMBL30833514 0.77 GPR119 (0.44) WNT3SFRP1GPR119MEN1KMT2A

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