SCHEMBL7997794

SCHEMBL7997794

Cc1c(F)c(N2CCC(N)C2)cc2c1c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.61
HRH3 Q9Y5N1 1/20 0.61
DYRK1A Q13627 2/20 0.49
PIM3 Q86V86 2/20 0.49
RPS6KB1 P23443 1/20 0.49
MATK P42679 1/20 0.49
MAPKAPK3 Q16644 1/20 0.49
AURKB Q96GD4 1/20 0.49
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
TOP1 P11387 3/20 0.44
CYP3A4 P08684 1/20 0.43
PRKD3 O94806 1/20 0.41
PIM1 P11309 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL7997857 1.00 KCNH2 (0.61) KCNH2HRH3DYRK1APIM3RPS6KB1
SCHEMBL8110519 0.90 KCNH2 (0.73) KCNH2HRH3DYRK1APIM3RPS6KB1
SCHEMBL7997798 0.86 KCNH2 (0.45) KCNH2HRH3DYRK1APIM3RPS6KB1
SCHEMBL9086828 0.84 KCNH2 (0.54) KCNH2HRH3DYRK1APIM3RPS6KB1
SCHEMBL7997785 0.84 KCNH2 (0.51) KCNH2HRH3DYRK1APIM3RPS6KB1
SCHEMBL7997787 0.84 KCNH2 (0.51) KCNH2HRH3DYRK1APIM3RPS6KB1
Hydrochloric Acid SCHEMBL8111805 0.83 KCNH2 (0.54) KCNH2HRH3DYRK1APIM3RPS6KB1
SCHEMBL9087871 0.83 KCNH2 (0.54) KCNH2HRH3DYRK1APIM3RPS6KB1
SCHEMBL7997606 0.83 RPS6KB1 (0.51) KCNH2HRH3DYRK1APIM3RPS6KB1
SCHEMBL8010003 0.83 RPS6KB1 (0.51) KCNH2HRH3DYRK1APIM3RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593766-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI SEIYAKU CO (JP) 2000-09-06 EP claimed
EP-0593766-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP claimed
EP-0593766-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI SEIYAKU CO (JP) 2000-09-06 EP disclosed
EP-0593766-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed