SCHEMBL30833444

SCHEMBL30833444

CC(C)(C)OC(=O)N1CCCCC1C(F)S(=O)(=O)c1ccc(OC(F)F)nc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR119 Q8TDV5 9/20 0.43
PIK3CD O00329 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
WNT3 P56703 2/20 0.36
SFRP1 Q8N474 2/20 0.36
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 3/20 0.35
MMP13 P45452 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL30833381 0.92 MEN1 (0.46) MEN1KMT2AGPR119PIK3CDTRPV1
SCHEMBL30833473 0.83 GPR119 (0.42) MEN1KMT2AGPR119PIK3CDTRPV1
SCHEMBL30833412 0.83 GPR119 (0.42) MEN1KMT2AGPR119PIK3CDTRPV1
SCHEMBL17949423 0.82 GPR119 (0.54) GPR119PIK3CDMMP13
SCHEMBL17948853 0.74 GPR119 (0.53) GPR119PIK3CDMMP13
SCHEMBL17948854 0.74 GPR119 (0.53) GPR119PIK3CDMMP13
SCHEMBL17942528 0.73 GPR119 (0.55) GPR119MMP13
SCHEMBL30833502 0.73 MEN1 (0.42) MEN1KMT2ATRPV1WNT3SFRP1
SCHEMBL30833482 0.72 MEN1 (0.40) MEN1KMT2AWNT3SFRP1NR1H2
SCHEMBL30833454 0.72 KMT2A (0.40) MEN1KMT2AGPR119TRPV1WNT3

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