SCHEMBL8797402

SCHEMBL8797402

CC1=C(C(=O)OCCCc2cccnc2)C(Cc2ccccc2)C(C(=O)OCCCc2cccnc2)=C(C)N1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.53
TBXAS1 P24557 7/20 0.47
FKBP1A P62942 1/20 0.45
CACNA1B Q00975 1/20 0.44

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
SCHEMBL8796913 0.90 CHRNA7 (0.52) CHRNA7TBXAS1FKBP1ACACNA1B
SCHEMBL8797176 0.87 LMNA (0.52) CHRNA7FKBP1A
SCHEMBL8797141 0.86 L3MBTL1 (0.49) CHRNA7FKBP1A
SCHEMBL8797472 0.86 CHRNA7 (0.47) CHRNA7TBXAS1FKBP1A
SCHEMBL8797096 0.86 CHRNA7 (0.47) CHRNA7TBXAS1FKBP1A
SCHEMBL8797106 0.85 LMNA (0.49) CHRNA7
SCHEMBL8797114 0.84 LMNA (0.51) CHRNA7
SCHEMBL8797115 0.84 CHRNA7 (0.50) CHRNA7TBXAS1FKBP1ACACNA1B
SCHEMBL8797103 0.84 LMNA (0.51) CHRNA7
SCHEMBL8797462 0.84 LMNA (0.51) CHRNA7

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