SCHEMBL9144164

SCHEMBL9144164

CCC(N)C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.72
ALDH1A1 P00352 5/20 0.61
POLB P06746 2/20 0.61
OPRM1 P35372 2/20 0.61
CHRM2 P08172 1/20 0.61
CHRM1 P11229 1/20 0.61
OPRD1 P41143 1/20 0.61
KDM4E B2RXH2 4/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 3/20 0.54
PRKD3 O94806 1/20 0.54
ALOX15 P16050 1/20 0.54
CLK2 P49760 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TOP2A P11388 5/20 0.52
TOP2B Q02880 5/20 0.52
PMP22 Q01453 1/20 0.51
LMNA P02545 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
SCHEMBL9144453 0.91 KCNH2 (0.86) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9691061 0.89 KCNH2 (0.57) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9142786 0.88 KDM4E (0.67) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9145952 0.88 KCNH2 (0.71) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9146190 0.85 KCNH2 (0.69) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9416068 0.85 ALDH1A1 (0.82) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9416082 0.85 ALDH1A1 (0.82) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL1387312 0.85 ALDH1A1 (0.82) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6527423 0.85 KCNH2 (0.79) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8112090 0.84 KCNH2 (0.82) KCNH2ALDH1A1POLBOPRM1CHRM2

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
EP-0207420-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-05-06 EP claimed
EP-0207420-A2 Pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1987-01-07 EP claimed
US-5476950-A Aminopyrrolidine compound DAIICHI SEIYAKU CO., LTD. (JP) 1995-12-19 US disclosed
US-5416222-A Chemical intermediates to prepare pyridinocarboxylic acid derivatives with high antimicrobial activity and excellent pharmacokinetics DAIICHI SEIYAKU CO., LTD. (JP) 1995-05-16 US disclosed
US-5380874-A Pyrrolidine carbamates DAIICHI SEIYAKU CO., LTD. (JP) 1995-01-10 US disclosed
EP-0207420-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-05-06 EP disclosed
US-5098912-A Bactericides for grampositive bacteria DAIICHI SEIYAKU CO., LTD. (JP) 1992-03-24 US disclosed
EP-0207420-A2 Pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1987-01-07 EP disclosed