SCHEMBL8797176

SCHEMBL8797176

CCCC1C(C(=O)OCCCc2cccnc2)=C(C)NC(C)=C1C(=O)OCCCc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CHRNA7 P36544 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
FKBP1A P62942 5/20 0.42
MTOR P42345 1/20 0.42
FKBP4 Q02790 1/20 0.42
FKBP5 Q13451 1/20 0.42
NAMPT P43490 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
SCHEMBL8797141 0.95 L3MBTL1 (0.49) LMNAALDH1A1HPGDTP53TSHR
SCHEMBL8797106 0.94 LMNA (0.49) LMNAALDH1A1HPGDTP53TSHR
SCHEMBL8797114 0.93 LMNA (0.51) LMNAALDH1A1HPGDTP53TSHR
SCHEMBL8797462 0.93 LMNA (0.51) LMNAALDH1A1HPGDTP53TSHR
SCHEMBL8797103 0.93 LMNA (0.51) LMNAALDH1A1HPGDTP53TSHR
SCHEMBL8796913 0.90 CHRNA7 (0.52) ALDH1A1HSD17B10CHRNA7FKBP1A
SCHEMBL8797402 0.87 CHRNA7 (0.53) CHRNA7FKBP1A
SCHEMBL8797472 0.86 CHRNA7 (0.47) ALDH1A1HPGDHSD17B10CHRNA7L3MBTL1
SCHEMBL8797096 0.86 CHRNA7 (0.47) ALDH1A1HPGDHSD17B10CHRNA7L3MBTL1
SCHEMBL8797271 0.84 CHRNA7 (0.47) LMNACHRNA7L3MBTL1TDP1FKBP1A

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