SCHEMBL9734952

SCHEMBL9734952

O=C1CCC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.52
ACHE P22303 1/20 0.50
FASN P49327 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
HPGD P15428 1/20 0.47
TGM2 P21980 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SLC18A3 Q16572 1/20 0.47
POLB P06746 1/20 0.47
EPHX1 P07099 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 1/20 0.47
CNR2 P34972 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BLM P54132 1/20 0.46
PARP1 P09874 1/20 0.45

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
SCHEMBL9735854 0.86 KMT2A (0.58) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL9735965 0.86 PKM (0.51) NAMPTHPGDALDH1A1MEN1KMT2A
SCHEMBL9736472 0.86 HSD11B1 (0.51) NAMPTKDM4EALDH1A1POLBL3MBTL1
SCHEMBL9735561 0.86 POLB (0.57) HPGDALDH1A1POLBL3MBTL1MEN1
SCHEMBL9734377 0.85 HPGD (0.54) HPGDKDM4EL3MBTL1MEN1KMT2A
SCHEMBL7950888 0.83 NAMPT (0.51) NAMPTTGM2ALDH1A1POLBL3MBTL1
SCHEMBL7950882 0.83 NAMPT (0.51) NAMPTTGM2ALDH1A1POLBL3MBTL1
SCHEMBL9735387 0.83 NAMPT (0.67) NAMPTSIGMAR1TGM2ALDH1A1USP2
SCHEMBL9734991 0.83 HPGD (0.55) HPGDALDH1A1POLBL3MBTL1MEN1
SCHEMBL9735575 0.83 RAB9A (0.56) NAMPTHPGDKDM4EALDH1A1POLB

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