SCHEMBL6893778

SCHEMBL6893778

O=C(NC1CCCCC1)c1cc(Cc2ccc(-c3nccs3)cc2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
S1PR1 P21453 1/20 0.44
RAB9A P51151 2/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAOB P27338 1/20 0.42
NPC1 O15118 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL12803423 0.89 CHRM1 (0.58) CHRM1
SCHEMBL6890001 0.87 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1LMNAGAA
SCHEMBL6892258 0.83 GAA (0.56) SMN1; SMN2KDM4EALDH1A1LMNAGAA
SCHEMBL6888967 0.80 MAPT (0.57) SMN1; SMN2ALDH1A1GAAKMT2ARAB9A
SCHEMBL6892450 0.79 CHRM1 (0.54) CHRM1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL2224496 0.79 GAA (0.55) CHRM1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL23672850 0.79 CHRM1 (0.54) CHRM1RAB9ANPC1CNR2
SCHEMBL6892513 0.79 CHRM1 (0.64) CHRM1KDM4ERAB9A
SCHEMBL6891970 0.79 GAA (0.49) SMN1; SMN2KDM4EALDH1A1LMNAGAA
SCHEMBL12802920 0.79 CHRM1 (0.54) CHRM1

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