SCHEMBL9380600

SCHEMBL9380600

CNCC1(C)CCN(c2c(F)cc3c(=O)c(OC(=O)O)cn(C4CC4)c3c2Cl)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
POLB P06746 3/20 0.49
OPRM1 P35372 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRD1 P41143 1/20 0.49
KCNH2 Q12809 6/20 0.41
KDM4E B2RXH2 8/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 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
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9381307 0.93 KCNH2 (0.43) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9378890 0.91 KCNH2 (0.44) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10513926 0.90 ALDH1A1 (0.49) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9377814 0.90 ALDH1A1 (0.52) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9378821 0.89 ALDH1A1 (0.62) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9377920 0.89 ALDH1A1 (0.49) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9215533 0.83 ALDH1A1 (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10515915 0.83 ALDH1A1 (0.53) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9378560 0.82 KCNH2 (0.50) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL10515500 0.82 KCNH2 (0.42) 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-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 claimed