SCHEMBL9737216

SCHEMBL9737216

O=C1CCC(C(=O)N2CCN(CC(=O)N3CCN(C(=O)OCc4ccccc4)CC3)CC2)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
PARP1 P09874 2/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
NAMPT P43490 2/20 0.41
GAA P10253 1/20 0.41
GRIN2B Q13224 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL9734538 0.92 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL13780326 0.92 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL9734867 0.89 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL9737233 0.79 L3MBTL1 (0.53) KMT2AMEN1NAMPTGAAALDH1A1
SCHEMBL9734496 0.79 KMT2A (0.53) SMN1; SMN2CYP2C19KMT2AMEN1NAMPT
SCHEMBL9734807 0.79 GAA (0.46) SMN1; SMN2KMT2AMEN1PARP1NAMPT
SCHEMBL9735768 0.78 GAA (0.49) SMN1; SMN2KMT2AMEN1PARP1NAMPT
SCHEMBL9735396 0.78 GAA (0.51) SMN1; SMN2MEN1PARP1NAMPTGAA
SCHEMBL13780266 0.78 ALDH1A1 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL9736168 0.78 TPSAB1 (0.55) SMN1; SMN2KMT2AMEN1NAMPTGAA

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