SCHEMBL28568908

SCHEMBL28568908

CC(C)(C)OC(=O)N1CCN(c2cc(F)c3c(c2F)CCC(N)C3)CC1c1cc(F)c2c(c1F)CCC(N)C2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.39
NR1H3 Q13133 11/20 0.36
GPR119 Q8TDV5 2/20 0.34
DPP4 P27487 1/20 0.34
RIPK1 Q13546 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL20722901 0.83 DPP4 (0.45) GPR119DPP4KDM4EMAPTTHRB
SCHEMBL30061913 0.83 DPP4 (0.45) GPR119DPP4KDM4EMAPTTHRB
SCHEMBL30968546 0.83 PARP1 (0.38) GPR119DPP4RIPK1KDM4EMAPT
SCHEMBL21685838 0.79 JAK1 (0.44) GPR119DPP4KDM4EMAPTTHRB
SCHEMBL30968534 0.79 JAK1 (0.44) GPR119DPP4KDM4EMAPTTHRB
SCHEMBL20722594 0.72 KDM4E (0.34) KDM4EMAPT
SCHEMBL28574169 0.72 ALDH1A1 (0.43) NR1H2NR1H3MAPTTHRB
SCHEMBL17114699 0.69 MAPT (0.41) NR1H2NR1H3GPR119MAPT
SCHEMBL17114700 0.69 MAPT (0.41) NR1H2NR1H3GPR119MAPT
SCHEMBL21685827 0.68 JAK1 (0.41) GPR119

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-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed
CN-112867712-A Carboxamides as ubiquitin-specific protease inhibitors 瓦洛早期发现股份有限公司 2021-05-28 CN disclosed