SCHEMBL8796852

SCHEMBL8796852

CCCCC(CC)C1C(C(=O)OCCCc2cccnc2)=C(C)NC(C)=C1C(=O)OCCCc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.43
CHRNA7 P36544 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
FKBP1A P62942 5/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MTOR P42345 1/20 0.39
FKBP4 Q02790 1/20 0.39
FKBP5 Q13451 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL8797271 0.93 CHRNA7 (0.47) L3MBTL1LMNACHRNA7TDP1FKBP1A
SCHEMBL8798365 0.86 CHRNA7 (0.44) L3MBTL1LMNACHRNA7TDP1FKBP1A
SCHEMBL8797447 0.86 CHRNA7 (0.46) L3MBTL1LMNACHRNA7FKBP1AKDM4E
SCHEMBL8797726 0.85 CHRNA7 (0.48) L3MBTL1CHRNA7FKBP1AKDM4EALDH1A1
SCHEMBL8797141 0.83 L3MBTL1 (0.49) L3MBTL1LMNACHRNA7TDP1FKBP1A
SCHEMBL8797106 0.82 LMNA (0.49) L3MBTL1LMNACHRNA7TDP1KDM4E
SCHEMBL8796974 0.82 CHRNA7 (0.45) L3MBTL1LMNACHRNA7TDP1KDM4E
SCHEMBL8797176 0.82 LMNA (0.52) L3MBTL1LMNACHRNA7TDP1FKBP1A
SCHEMBL8797114 0.81 LMNA (0.51) L3MBTL1LMNACHRNA7TDP1ALDH1A1
SCHEMBL8797103 0.81 LMNA (0.51) L3MBTL1LMNACHRNA7TDP1ALDH1A1

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