SCHEMBL8385739

SCHEMBL8385739

NCC1COCCN1c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.55
▸ TOP2A P11388 6/20 0.51
▸ TOP2B Q02880 6/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ OPRM1 P35372 2/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ AADAT Q8N5Z0 2/20 0.46
▸ GSK3B P49841 1/20 0.46

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
SCHEMBL10473512 0.94 KCNH2 (0.61) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL12819447 0.92 TOP2A (0.52) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL8112091 0.87 KCNH2 (0.58) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL10555158 0.86 KDM4E (0.56) KCNH2ALDH1A1POLBKDM4EHPGD
SCHEMBL10472674 0.86 KCNH2 (0.57) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL10472075 0.85 KCNH2 (0.56) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9218414 0.82 TOP2A (0.57) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9788086 0.82 TOP2A (0.59) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL10472818 0.81 KCNH2 (0.59) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL10425104 0.81 TOP2A (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858408-A Sustained-release oral ointment TOYAMA CHEMICAL CO., LTD. (JP) 1999-01-12 — — US disclosed
EP-0788801-A1 SUSTAINED-RELEASE ORAL OINTMENT TOYAMA CHEMICAL CO., LTD. (JP) 1997-08-13 — — EP disclosed
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