SCHEMBL6893880

SCHEMBL6893880

O=C(NC1CCCC1)c1cc(Cc2ccc(Cl)nc2)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.54
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
RAB9A P51151 2/20 0.47
KCNH2 Q12809 1/20 0.47
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL2224496 0.99 GAA (0.55) CHRM1GAAKMT2ARAB9AKCNH2
SCHEMBL2275591 0.91 CHRM1 (0.53) CHRM1GAAKMT2A
SCHEMBL12803237 0.90 CHRM1 (0.53) CHRM1GAAKMT2A
SCHEMBL2223955 0.89 CHRM1 (0.70) CHRM1KCNH2
SCHEMBL2221937 0.89 CHRM1 (0.70) CHRM1KCNH2
SCHEMBL12802941 0.89 CHRM1 (0.70) CHRM1KCNH2
SCHEMBL6891025 0.89 CHRM1 (0.70) CHRM1KCNH2
SCHEMBL2223684 0.89 CHRM1 (0.70) CHRM1KCNH2
SCHEMBL2223892 0.88 CHRM1 (0.59) CHRM1GAAKMT2AKCNH2
SCHEMBL12803297 0.88 CHRM1 (0.51) CHRM1GAAKMT2AKCNH2ALDH1A1

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
WO-2011084368-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed