SCHEMBL6892258

SCHEMBL6892258

O=C(NC1CCCCC1)c1cc(Cc2ccc(Cl)cc2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 2/20 0.51
THRB P10828 1/20 0.51
CNR1 P21554 4/20 0.50
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
EPHX1 P07099 1/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CNR2 P34972 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
SCHEMBL2224496 0.88 GAA (0.55) GAAKMT2AALDH1A1THRBCNR1
SCHEMBL2223726 0.87 CHRM1 (0.54) CNR1CNR2
SCHEMBL17656795 0.87 ADAM17 (0.52) GAAKMT2A
SCHEMBL6888967 0.87 MAPT (0.57) GAAKMT2AALDH1A1CNR1RAB9A
SCHEMBL6893880 0.87 CHRM1 (0.54) GAAKMT2AALDH1A1THRBRAB9A
SCHEMBL6890001 0.86 SMN1; SMN2 (0.51) GAAKMT2AALDH1A1CNR1RAB9A
SCHEMBL6892450 0.84 CHRM1 (0.54) GAAKMT2AALDH1A1RAB9AMAPT
SCHEMBL6891970 0.83 GAA (0.49) GAAKMT2AALDH1A1RAB9AMAPT
SCHEMBL6891717 0.83 CHRM1 (0.54) GAAKMT2AALDH1A1THRBRAB9A
SCHEMBL6893778 0.83 CHRM1 (0.51) GAAKMT2AALDH1A1THRBCNR1

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