SCHEMBL11020568

SCHEMBL11020568

CCOC(=O)C1=C(C)Nc2ncc(CCC(=O)O)n2C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 16/20 0.59
CACNA1D Q01668 16/20 0.59
CACNA1S Q13698 16/20 0.59
CACNA1C Q13936 16/20 0.59
ADORA3 P0DMS8 1/20 0.55
HIF1A Q16665 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52

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
SCHEMBL11022578 0.92 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11052829 0.91 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11018577 0.90 CACNA1F (0.59) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11023232 0.90 CACNA1F (0.62) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11019642 0.89 CACNA1C (0.57) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11019962 0.88 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11021693 0.87 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11018691 0.87 CACNA1C (0.59) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Hydrochloric Acid SCHEMBL11020440 0.86 CACNA1C (0.58) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11021006 0.85 CACNA1C (0.56) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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-0163240-A2 Dihydroimidazo[1,2-a]pyrimidine derivatives, methods of preparing said compounds and pharmaceutical compositions constaining said compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1985-12-04 EP disclosed