SCHEMBL8775600

SCHEMBL8775600

O=C(O)c1cn(C2CC2)c2c(F)c(N3CC(CO)C4(CCC4)C3)c(F)cc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.54
TOP2A P11388 6/20 0.50
TOP2B Q02880 6/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 2/20 0.50
OPRM1 P35372 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
OPRD1 P41143 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49
CLK2 P49760 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL8775427 0.98 KCNH2 (0.54) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL8775582 0.97 KCNH2 (0.53) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL6475597 0.90 KCNH2 (0.64) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL6480467 0.88 ALDH1A1 (0.64) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL8775573 0.88 ALDH1A1 (0.56) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9523315 0.87 KCNH2 (0.42) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL6472075 0.87 KCNH2 (0.65) KCNH2ALDH1A1POLBOPRM1KDM4E
SCHEMBL9572117 0.87 KCNH2 (0.55) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9523821 0.86 KCNH2 (0.42) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL8775368 0.86 ALDH1A1 (0.56) KCNH2TOP2ATOP2BALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US claimed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP claimed
EP-0529688-B1 Azaspiro(n,m)alkanes and diazaspiro(n,m)-alkanes DAIICHI SEIYAKU CO (JP) 1997-11-12 EP disclosed
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