SCHEMBL8797447

SCHEMBL8797447

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.46
FKBP1A P62942 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
MTOR P42345 1/20 0.41
FKBP4 Q02790 1/20 0.41
FKBP5 Q13451 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 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
SCHEMBL8798365 0.92 CHRNA7 (0.44) CHRNA7FKBP1AL3MBTL1KDM4EMEN1
SCHEMBL8797271 0.91 CHRNA7 (0.47) CHRNA7FKBP1AL3MBTL1LMNAMTOR
SCHEMBL8797726 0.90 CHRNA7 (0.48) CHRNA7FKBP1AL3MBTL1KDM4EMEN1
SCHEMBL8796974 0.87 CHRNA7 (0.45) CHRNA7L3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL8655149 0.87 CHRNA7 (0.47) CHRNA7FKBP1AKDM4EMEN1ALDH1A1
SCHEMBL8797115 0.87 CHRNA7 (0.50) CHRNA7FKBP1AL3MBTL1KDM4EALDH1A1
SCHEMBL8796852 0.86 L3MBTL1 (0.45) CHRNA7FKBP1AL3MBTL1KDM4EALDH1A1
SCHEMBL8796956 0.86 CHRNA7 (0.49) CHRNA7FKBP1AL3MBTL1KDM4EALDH1A1
SCHEMBL8797472 0.84 CHRNA7 (0.47) CHRNA7FKBP1AL3MBTL1KDM4EMEN1
SCHEMBL8797176 0.83 LMNA (0.52) CHRNA7FKBP1AL3MBTL1KDM4EALDH1A1

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