SCHEMBL2792024

SCHEMBL2792024

CC(C)(C)OC(=O)N1CCCC(C#Cc2cccnc2N)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.43
▸ POLB P06746 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ CTSD P07339 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ 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
▸ USP30 Q70CQ3 3/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ PARP1 P09874 1/20 0.39

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
SCHEMBL2792027 1.00 GPR119 (0.43) GPR119POLBHPGDSBACE1CTSD
SCHEMBL23858223 0.88 GPR119 (0.51) GPR119POLBHPGDSGRM5
SCHEMBL30011057 0.88 GPR119 (0.51) GPR119POLBHPGDSGRM5
SCHEMBL20284653 0.86 GPR119 (0.43) GPR119POLBHPGDSBACE1CTSD
SCHEMBL20284097 0.82 GPR119 (0.43) GPR119HPGDSBACE1CTSDMEN1
SCHEMBL20284451 0.82 GPR119 (0.45) GPR119HPGDSBACE1CTSDMEN1
SCHEMBL2788975 0.79 MEN1 (0.41) GPR119HPGDSBACE1CTSDMEN1
SCHEMBL2788972 0.79 MEN1 (0.41) GPR119HPGDSBACE1CTSDMEN1
SCHEMBL2793627 0.79 BACE1 (0.40) GPR119HPGDSBACE1CTSDMEN1
SCHEMBL2793629 0.79 BACE1 (0.40) GPR119HPGDSBACE1CTSDMEN1

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