SCHEMBL9736216

SCHEMBL9736216

COc1ccc(CC(=O)N2CCN(C(=O)C3CCC(=O)N3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.64
MAPT P10636 3/20 0.58
HPGD P15428 5/20 0.52
GFER P55789 3/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 3/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP2C9 P11712 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.48
GPR183 P32249 1/20 0.47
ABCB1 P08183 1/20 0.45
ABCC1 P33527 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
SCHEMBL9735099 0.86 POLB (0.53) SMN1; SMN2GAAL3MBTL1ALDH1A1KMT2A
SCHEMBL9734613 0.85 GFER (0.50) HPGDGFERALDH1A1KMT2ACYP2C9
SCHEMBL9737233 0.84 L3MBTL1 (0.53) MAPTGAAL3MBTL1ALDH1A1KMT2A
SCHEMBL9734450 0.82 NAMPT (0.58) SMN1; SMN2MAPTGFERGAAL3MBTL1
SCHEMBL9734991 0.82 HPGD (0.55) SMN1; SMN2HPGDGAAL3MBTL1ALDH1A1
SCHEMBL9735192 0.80 GPR183 (0.58) SMN1; SMN2MAPTGAAALDH1A1RAB9A
SCHEMBL9735198 0.80 GPR183 (0.58) SMN1; SMN2MAPTGAAALDH1A1RAB9A
SCHEMBL9734790 0.76 TPSAB1 (0.46) SMN1; SMN2KMT2AMEN1
SCHEMBL7950882 0.75 NAMPT (0.51) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL7950888 0.75 NAMPT (0.51) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMEN1

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