SCHEMBL8797141

SCHEMBL8797141

CCCCC1C(C(=O)OCCCc2cccnc2)=C(C)NC(C)=C1C(=O)OCCCc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRNA7 P36544 2/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
NAMPT P43490 1/20 0.44
FKBP1A P62942 3/20 0.42
MTOR P42345 1/20 0.42
FKBP4 Q02790 1/20 0.42
FKBP5 Q13451 1/20 0.42

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
SCHEMBL8797106 0.97 LMNA (0.49) L3MBTL1LMNATDP1CHRNA7ALDH1A1
SCHEMBL8797103 0.96 LMNA (0.51) L3MBTL1LMNATDP1CHRNA7ALDH1A1
SCHEMBL8797462 0.96 LMNA (0.51) L3MBTL1LMNATDP1CHRNA7ALDH1A1
SCHEMBL8797114 0.96 LMNA (0.51) L3MBTL1LMNATDP1CHRNA7ALDH1A1
SCHEMBL8797176 0.95 LMNA (0.52) L3MBTL1LMNATDP1CHRNA7ALDH1A1
SCHEMBL8796913 0.89 CHRNA7 (0.52) CHRNA7ALDH1A1HSD17B10FKBP1A
SCHEMBL8797402 0.86 CHRNA7 (0.53) CHRNA7FKBP1A
SCHEMBL8797472 0.85 CHRNA7 (0.47) L3MBTL1CHRNA7ALDH1A1HPGDHSD17B10
SCHEMBL8797096 0.85 CHRNA7 (0.47) L3MBTL1CHRNA7ALDH1A1HPGDHSD17B10
SCHEMBL8797271 0.83 CHRNA7 (0.47) L3MBTL1LMNATDP1CHRNA7FKBP1A

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
EP-0801065-A1 1,4-DIHYDROPYRIDINE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1997-10-15 EP disclosed