SCHEMBL6168061

SCHEMBL6168061

NC1(C2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3F)C2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.63
ALDH1A1 P00352 3/20 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
SCN5A Q14524 1/20 0.58
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
PRKD3 O94806 1/20 0.55
ALOX15 P16050 1/20 0.55
CLK2 P49760 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TOP2A P11388 5/20 0.52
TOP2B Q02880 5/20 0.52
CYP3A4 P08684 1/20 0.52
LMNA P02545 1/20 0.50

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
Hydrochloric Acid SCHEMBL6505726 0.90 KCNH2 (0.72) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8385634 0.89 KCNH2 (0.56) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL3551443 0.89 ALDH1A1 (0.57) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL3551445 0.89 ALDH1A1 (0.57) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL2670480 0.87 KCNH2 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL4750067 0.87 KCNH2 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9779913 0.87 KCNH2 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6529669 0.87 KCNH2 (0.67) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6159445 0.86 KDM4E (0.66) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8383857 0.86 KCNH2 (0.57) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0919553-B1 cis-SUBSTITUTED AMINOCYCLOPROPANE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-03-02 EP disclosed
US-5476950-A Aminopyrrolidine compound DAIICHI SEIYAKU CO., LTD. (JP) 1995-12-19 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