SCHEMBL9378982

SCHEMBL9378982

CC1(CN)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.64
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
OPRM1 P35372 2/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
OPRD1 P41143 1/20 0.54
TOP2A P11388 6/20 0.52
TOP2B Q02880 6/20 0.52
KDM4E B2RXH2 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL9377521 0.94 KCNH2 (0.63) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9666823 0.93 KCNH2 (0.69) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9376728 0.92 ALDH1A1 (0.66) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8890201 0.90 KCNH2 (0.71) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9381301 0.89 KCNH2 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9377634 0.89 KCNH2 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9179692 0.89 KCNH2 (0.66) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9378560 0.88 KCNH2 (0.50) KCNH2ALDH1A1POLBOPRM1CHRM2
Hydrochloric Acid SCHEMBL9177705 0.88 KCNH2 (0.65) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10719094 0.88 KCNH2 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255908-B1 7-[[3-(aminomethyl)-3-alkyl]-1-pyrrolidinyl]-quinoline-carboxylic acid-derivatives and pharmaceutical compositions containing them WARNER LAMBERT CO (US) 1994-10-19 EP disclosed
EP-0376870-A1 A new organosilylpolyphosphoric reagent, its preparation and application to the process of synthesis of 3-carboxyquinolones or azaquinolones and their salts CENTRO MARGA PARA LA INVESTIGACION S.A. (ES) 1990-07-04 EP disclosed
US-4771055-A BACTERICIDES WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
EP-0255908-A2 7-[[3-(aminomethyl)-3-alkyl]-1-pyrrolidinyl]-quinoline-carboxylic acid-derivatives and pharmaceutical compositions containing them WARNER-LAMBERT COMPANY (US) 1988-02-17 EP disclosed