SCHEMBL9728254

SCHEMBL9728254

[CH2]CN(C(C)=O)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL4439069 0.91
SCHEMBL4248602 0.82 PIK3CD (0.39) PIK3CDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL9463026 0.80 L3MBTL1 (0.47) PIK3CDALDH1A1MEN1KMT2ALMNA
SCHEMBL658992 0.78 L3MBTL1 (0.50) PIK3CDALDH1A1MEN1KMT2ALMNA
SCHEMBL18513375 0.78 PIK3CD (0.42) PIK3CDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL14276924 0.78 PYGL (0.39) PIK3CDALDH1A1LMNA
SCHEMBL3483367 0.78 DPP4 (0.37)
SCHEMBL2932705 0.77
SCHEMBL9462350 0.77 ADH1A (0.47) PIK3CDALDH1A1MEN1KMT2ALMNA
SCHEMBL1416138 0.77 ALOX5 (0.42) ALDH1A1MEN1KMT2AL3MBTL1

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
US-5157034-A Neuroleptic perhydro-1H-pyrido[1,2-a]pyrazines PFIZER INC. (US) 1992-10-20 US disclosed