SCHEMBL9080377

SCHEMBL9080377

CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(N3CC(N)C4(CC4)C3)c(Cl)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
CACNA1F O60840 1/20 0.43
MAPK1 P28482 1/20 0.43
CACNA1D Q01668 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
FOXO1 Q12778 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PMP22 Q01453 1/20 0.40
GSK3B P49841 10/20 0.37
SLC2A1 P11166 1/20 0.36
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL9080703 0.93 CACNA1F (0.48) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9080205 0.90 KDM4E (0.41) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9080555 0.85 POLB (0.57) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9080499 0.84 POLB (0.41) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9079571 0.84 KCNH2 (0.47) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9080092 0.83 ALDH1A1 (0.53) POLBKCNH2ALDH1A1KDM4EHPGD
SCHEMBL9080138 0.80 EPHA2 (0.43) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9079484 0.80 CACNA1F (0.67) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9078399 0.80 KDM4E (0.62) POLBKCNH2ALDH1A1KDM4EHPGD
SCHEMBL9080161 0.80 KDM4E (0.43) 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