SCHEMBL7546411

SCHEMBL7546411

Cc1c(N2CCC(N)C2)c(F)cn2c(=O)c(OC(=O)O)cc(C3CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
PIM1 P11309 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PIM3 Q86V86 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
KCNH2 Q12809 1/20 0.38
TOP1 P11387 4/20 0.37
TOP2A P11388 12/20 0.37
TOP2B Q02880 10/20 0.37
SCN5A Q14524 1/20 0.36

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
SCHEMBL7504904 1.00 ALDH1A1 (0.40) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL7502899 1.00 ALDH1A1 (0.40) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL7498238 0.95 KCNH2 (0.35) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL7497788 0.95 KCNH2 (0.35) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL7507361 0.94 KCNH2 (0.35) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL7506511 0.93 KCNH2 (0.34) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL7503826 0.90 KCNH2 (0.37) ALDH1A1KCNH2SCN5A
SCHEMBL7506270 0.88 KCNH2 (0.44) KCNH2TOP1
SCHEMBL7502770 0.88 KCNH2 (0.37) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL7502765 0.88 TOP1 (0.39) ALDH1A1POLBCHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP claimed