SCHEMBL20284097

SCHEMBL20284097

CC(C)(C)OC(=O)N1CCCC(C#Cc2ccncc2N)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ CTSD P07339 1/20 0.39
▸ USP30 Q70CQ3 2/20 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
SCHEMBL20284451 0.92 GPR119 (0.45) GPR119CYP2C9MEN1ALDH1A1MAPT
SCHEMBL2792027 0.82 GPR119 (0.43) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL2792024 0.82 GPR119 (0.43) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL2793629 0.81 BACE1 (0.40) GPR119CYP2C9MEN1ALDH1A1MAPT
SCHEMBL2793627 0.81 BACE1 (0.40) GPR119CYP2C9MEN1ALDH1A1MAPT
SCHEMBL20284653 0.80 GPR119 (0.43) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL7903139 0.80 PIK3CA (0.41) GPR119CYP2C9MEN1ALDH1A1MAPT
SCHEMBL2788975 0.79 MEN1 (0.41) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL2788972 0.79 MEN1 (0.41) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL2789087 0.78 ALOX5AP (0.39) GPR119MEN1ALDH1A1MAPTKMT2A

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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