SCHEMBL9705890

SCHEMBL9705890

CCOC(=O)OC1=C(C)NC(C)=C(C=O)C1c1cccc2ncc(-c3ccccc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.40
CACNA1C Q13936 2/20 0.35
PSMB5 P28074 1/20 0.34
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GRIN2B Q13224 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL9137745 0.88 NR3C2 (0.47) NR3C2CACNA1CMAPTCACNA1FCACNA1D
SCHEMBL9549837 0.84 NR3C2 (0.39) NR3C2PSMB5MAPTPOLBKDM4E
SCHEMBL9385237 0.83 NR3C2 (0.42) NR3C2CACNA1CPSMB5MAPTCACNA1F
SCHEMBL9140284 0.83 NR3C2 (0.44) NR3C2CACNA1CMAPTCACNA1FCACNA1D
SCHEMBL9205840 0.81 KDM4E (0.48) NR3C2CACNA1CMAPTKDM4ERAB9A
SCHEMBL9139844 0.80 NR3C2 (0.56) NR3C2CACNA1CMAPTKDM4ENPSR1
SCHEMBL9463382 0.80 NR3C2 (0.51) NR3C2CACNA1CMAPTCACNA1FCACNA1D
SCHEMBL9413455 0.78 MAPT (0.38) NR3C2CACNA1CMAPTPOLBCACNA1F
SCHEMBL9200857 0.77 MAPT (0.41) NR3C2CACNA1CMAPTCACNA1FCACNA1D
SCHEMBL9463271 0.76 NR3C2 (0.44) NR3C2PSMB5ALDH1A1NPSR1GSK3A

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-0518105-A1 3-Formyl-1,4-dihydropyridines, process for their preparation and their pharmaceutical use BAYER AG (DE) 1992-12-16 EP disclosed