SCHEMBL2788975

SCHEMBL2788975

Cc1nccc(N)c1C#C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ BACE1 P56817 2/20 0.38
▸ CTSD P07339 1/20 0.38
▸ GPR119 Q8TDV5 4/20 0.38
▸ USP30 Q70CQ3 2/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ HCAR1 Q9BXC0 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ PARP1 P09874 1/20 0.36

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
SCHEMBL2788972 1.00 MEN1 (0.41) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL20284653 0.81 GPR119 (0.43) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL20284451 0.81 GPR119 (0.45) MEN1ALDH1A1MAPTKMT2AALOX5AP
SCHEMBL2792024 0.79 GPR119 (0.43) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL2792027 0.79 GPR119 (0.43) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL20284097 0.79 GPR119 (0.43) MEN1ALDH1A1MAPTKMT2AALOX5AP
SCHEMBL2793629 0.78 BACE1 (0.40) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL2793627 0.78 BACE1 (0.40) MEN1ALDH1A1MAPTKMT2AJAK2
SCHEMBL22285792 0.77 GPR119 (0.41) GPR119USP30
SCHEMBL29774321 0.77 GPR119 (0.41) GPR119USP30

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — WO disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — WO disclosed
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