SCHEMBL29165136

SCHEMBL29165136

CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
LMNA P02545 4/20 0.47
UCHL1 P09936 2/20 0.46
WNT3 P56703 2/20 0.46
SFRP1 Q8N474 2/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DPP4 P27487 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL27153157 1.00 HSD17B10 (0.54) HSD17B10HRH2HRH1LMNAUCHL1
SCHEMBL30020013 0.94 HSD17B10 (0.48) HSD17B10HRH2HRH1LMNAUCHL1
Hydrochloric Acid SCHEMBL30019565 0.91 HSD17B10 (0.46) HSD17B10HRH2HRH1LMNAUCHL1
SCHEMBL29165097 0.84 HSD17B10 (0.52) HSD17B10HRH2HRH1LMNAUCHL1
SCHEMBL27340981 0.84 HSD17B10 (0.52) HSD17B10HRH2HRH1LMNAUCHL1
SCHEMBL29165081 0.84 DPP4 (0.50) DPP4KDM4EMEN1KMT2A
SCHEMBL27152739 0.84 DPP4 (0.50) DPP4KDM4EMEN1KMT2A
SCHEMBL2846468 0.82 KDM4E (0.55) LMNAMAPTTP53THRBKDM4E
SCHEMBL3903686 0.81 CYP3A4 (0.49) HSD17B10HRH2HRH1LMNAUCHL1
SCHEMBL34473058 0.80 HSD17B10 (0.52) HSD17B10HRH2HRH1LMNAUCHL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120443-A Compounds as adenosine A2a receptor antagonists and pharmaceutical compositions containing the same 株式会社 钟根堂 2023-11-24 CN disclosed