SCHEMBL30005266

SCHEMBL30005266

C[C@H]1CN(c2cc(Cl)cc(Cl)c2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.51
MAP4K4 O95819 1/20 0.48
NR1H2 P55055 12/20 0.47
NR1H3 Q13133 11/20 0.47
GPR119 Q8TDV5 2/20 0.46
HDAC1 Q13547 1/20 0.44
NOTUM Q6P988 1/20 0.43

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
SCHEMBL30208177 0.88 NR1H2 (0.55) SUV39H2NR1H2NR1H3
SCHEMBL20139232 0.88 NR1H2 (0.55) SUV39H2NR1H2NR1H3
SCHEMBL20139196 0.86 NR1H2 (0.48) SUV39H2MAP4K4NR1H2NR1H3GPR119
SCHEMBL20139239 0.85 NR1H2 (0.50) SUV39H2MAP4K4NR1H2NR1H3GPR119
SCHEMBL4573047 0.83 SUV39H2 (0.53) SUV39H2MAP4K4NR1H2NR1H3GPR119
SCHEMBL4573049 0.83 SUV39H2 (0.53) SUV39H2MAP4K4NR1H2NR1H3GPR119
SCHEMBL20139199 0.83 FAAH (0.56) MAP4K4NR1H2NR1H3GPR119HDAC1
SCHEMBL15819221 0.83 FAAH (0.56) MAP4K4NR1H2NR1H3GPR119HDAC1
SCHEMBL1904867 0.83 SUV39H2 (0.48) SUV39H2MAP4K4NR1H2NR1H3GPR119
SCHEMBL20139589 0.83 NR1H2 (0.59) SUV39H2MAP4K4NR1H2NR1H3GPR119

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
WO-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed