SCHEMBL6017325

SCHEMBL6017325

CCCCCCCCNN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.45
▸ NAAA Q02083 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ L3MBTL3 Q96JM7 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ABL1 P00519 1/20 0.37
▸ RIN1 Q13671 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MERTK Q12866 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
SCHEMBL3935756 0.79 SMN1; SMN2 (0.47) GPR119SMN1; SMN2KEAP1NFE2L2
SCHEMBL22750876 0.73 ROCK2 (0.51) NAAASMN1; SMN2ALDH1A1MAPK1HPGD
Hydrochloric Acid SCHEMBL3936839 0.72 NAAA (0.49) NAAASMN1; SMN2ALDH1A1MAPK1HPGD
SCHEMBL14393583 0.68 RECQL (0.51) SMN1; SMN2ALDH1A1MAPK1HPGDL3MBTL3
SCHEMBL13716059 0.68 L3MBTL3 (0.51) SMN1; SMN2ALDH1A1MAPK1HPGDL3MBTL3
SCHEMBL13128806 0.67 GPR119 (0.56) GPR119ABL1RIN1
SCHEMBL3960220 0.66 MEN1 (0.66) GPR119SMN1; SMN2ALDH1A1ABL1RIN1
SCHEMBL13716161 0.65 L3MBTL3 (0.62) SMN1; SMN2ALDH1A1L3MBTL3KDM4EPOLB
SCHEMBL388120 0.65 GPR119 (0.69) GPR119USP30
SCHEMBL22503846 0.65 MAPT (0.56) SMN1; SMN2ALDH1A1MAPK1L3MBTL3KDM4E

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
EP-1720874-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES Bioaxone Therapeutique Inc. (CA) 2006-11-15 — — EP disclosed
WO-2005080394-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES BIOAXONE THERAPEUTIQUE INC. (CA) 2005-09-01 — — WO disclosed
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