SCHEMBL9080499

SCHEMBL9080499

C=Cn1cc(C(=O)O)c(=O)c2c(N)c(F)c(N3CC(N)C4(CC4)C3)c(Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
CACNA1F O60840 1/20 0.41
MAPK1 P28482 1/20 0.41
CACNA1D Q01668 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
GSK3B P49841 12/20 0.35
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC2A1 P11166 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
SCHEMBL9078295 0.92 CACNA1F (0.47) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9080555 0.85 POLB (0.57) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9080377 0.84 POLB (0.43) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9079824 0.84 ALDH1A1 (0.51) POLBKCNH2ALDH1A1CHRM2CHRM1
SCHEMBL9080205 0.83 KDM4E (0.41) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9080138 0.82 EPHA2 (0.43) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9079357 0.81 ALDH1A1 (0.50) POLBKCNH2ALDH1A1CHRM2CHRM1
SCHEMBL9077692 0.80 KDM4E (0.44) POLBKCNH2ALDH1A1CHRM2CHRM1
SCHEMBL9077644 0.80 POLB (0.39) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9079484 0.78 CACNA1F (0.67) POLBCACNA1FMAPK1CACNA1DKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed