SCHEMBL7841155

SCHEMBL7841155

C[C@]12C[C@H](N)[C@@H]1CN(c1c(F)cc3c(=O)c(OC(=O)O)cn(C4CC4)c3c1Cl)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.53
OPRM1 P35372 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
OPRD1 P41143 1/20 0.53
KCNH2 Q12809 6/20 0.41
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
PRKD3 O94806 1/20 0.39
ALOX15 P16050 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 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
SCHEMBL7840092 0.93 KCNH2 (0.43) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7850094 0.90 KCNH2 (0.52) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7850381 0.89 ALDH1A1 (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7841152 0.89 ALDH1A1 (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7850379 0.89 ALDH1A1 (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7841179 0.89 ALDH1A1 (0.47) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7840313 0.85 ALDH1A1 (0.46) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9215533 0.85 ALDH1A1 (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7850714 0.85 ALDH1A1 (0.53) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9523724 0.83 ALDH1A1 (0.56) ALDH1A1POLBOPRM1CHRM2CHRM1

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-0677050-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVES CHEIL JEDANG CORP (KR) 2001-08-16 EP claimed