SCHEMBL8655149

SCHEMBL8655149

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCc2cccnc2)C1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.47
FKBP1A P62942 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 2/20 0.41
GAA P10253 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL8797726 0.96 CHRNA7 (0.48) CHRNA7FKBP1AALDH1A1KDM4EHPGD
SCHEMBL8796974 0.93 CHRNA7 (0.45) CHRNA7ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8797447 0.87 CHRNA7 (0.46) CHRNA7FKBP1AALDH1A1KDM4EHPGD
SCHEMBL8797115 0.86 CHRNA7 (0.50) CHRNA7FKBP1AALDH1A1KDM4EHSD17B10
SCHEMBL8797271 0.85 CHRNA7 (0.47) CHRNA7FKBP1AMAPTTDP1
SCHEMBL8798365 0.85 CHRNA7 (0.44) CHRNA7FKBP1AALDH1A1KDM4EHPGD
SCHEMBL8796956 0.85 CHRNA7 (0.49) CHRNA7FKBP1AALDH1A1KDM4EHSD17B10
SCHEMBL10758726 0.84 CHRNA7 (0.50) CHRNA7FKBP1AALDH1A1KDM4EHPGD
SCHEMBL8797472 0.83 CHRNA7 (0.47) CHRNA7FKBP1AALDH1A1KDM4EHPGD
SCHEMBL8796852 0.81 L3MBTL1 (0.45) CHRNA7FKBP1AALDH1A1KDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843950-A 1,4-dihydropyridine compound and pharmaceutical composition containing the same NIKKEN CHEMICALS CO., LTD. (JP) 1998-12-01 US disclosed
EP-0801065-A1 1,4-DIHYDROPYRIDINE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1997-10-15 EP disclosed