SCHEMBL9735561

SCHEMBL9735561

O=C1CCC(C(=O)N2CCN(C(=O)c3cccnc3)CC2)N1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL9734952 0.86 NAMPT (0.52) POLBALDH1A1KMT2AMEN1HPGD
SCHEMBL9763711 0.80 PKM (0.74) POLBPKMMAPK1ALDH1A1KMT2A
SCHEMBL9734377 0.80 HPGD (0.54) KMT2AMEN1HPGDHTTL3MBTL1
SCHEMBL9735854 0.79 KMT2A (0.58) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL9736472 0.79 HSD11B1 (0.51) POLBALDH1A1KMT2AMEN1GAA
SCHEMBL9735965 0.79 PKM (0.51) PKMALDH1A1KMT2AMEN1HPGD
Hydrochloric Acid SCHEMBL1596692 0.78 PKM (0.72) POLBPKMMAPK1ALDH1A1KMT2A
SCHEMBL7950888 0.78 NAMPT (0.51) POLBALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7950882 0.78 NAMPT (0.51) POLBALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL27491159 0.76 HPGD (0.65) POLBPKMMAPK1ALDH1A1KMT2A

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-5102882-A Nootropic agents NIPPON SHINYAKU CO., LTD. (JP) 1992-04-07 US disclosed