SCHEMBL20284451

SCHEMBL20284451

CC(C)(C)OC(=O)N1CCCC(C#Cc2cnccc2N)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.45
▸ CYP2C9 P11712 1/20 0.43
▸ ALOX5AP P20292 2/20 0.41
▸ FEN1 P39748 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ CTSD P07339 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.38

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
SCHEMBL20284097 0.92 GPR119 (0.43) GPR119CYP2C9ALOX5APFEN1MEN1
SCHEMBL2793627 0.83 BACE1 (0.40) GPR119CYP2C9ALOX5APFEN1MEN1
SCHEMBL2793629 0.83 BACE1 (0.40) GPR119CYP2C9ALOX5APFEN1MEN1
SCHEMBL2792027 0.82 GPR119 (0.43) GPR119ALOX5APFEN1MEN1ALDH1A1
SCHEMBL2792024 0.82 GPR119 (0.43) GPR119ALOX5APFEN1MEN1ALDH1A1
SCHEMBL7903139 0.82 PIK3CA (0.41) GPR119CYP2C9ALOX5APFEN1MEN1
SCHEMBL2788975 0.81 MEN1 (0.41) GPR119ALOX5APFEN1MEN1ALDH1A1
SCHEMBL2788972 0.81 MEN1 (0.41) GPR119ALOX5APFEN1MEN1ALDH1A1
SCHEMBL20284653 0.80 GPR119 (0.43) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL2789087 0.78 ALOX5AP (0.39) GPR119ALOX5APFEN1MEN1ALDH1A1

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-2018109198-A1 BICYCLIC OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2018-06-21 — — WO disclosed
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