SCHEMBL6891717

SCHEMBL6891717

O=C(NC1CCCCC1)c1cc(Cc2ccc(C3CC3)nc2)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.54
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 1/20 0.45
RXFP1 Q9HBX9 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
MAOB P27338 1/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
EPHX1 P07099 1/20 0.43
ADAM17 P78536 1/20 0.42

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
SCHEMBL2222397 0.88 CHRM1 (0.71) CHRM1ADAM17
SCHEMBL17644714 0.88 CHRM1 (0.71) CHRM1ADAM17
SCHEMBL2268477 0.88 CHRM1 (0.71) CHRM1ADAM17
SCHEMBL6892450 0.87 CHRM1 (0.54) CHRM1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL2224496 0.87 GAA (0.55) CHRM1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL6893880 0.86 CHRM1 (0.54) CHRM1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL6890115 0.85 GAA (0.45) LMNASMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL6890076 0.85 KCNH2 (0.48) LMNASMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL6891544 0.84 CHRM1 (0.47) CHRM1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL6891970 0.83 GAA (0.49) LMNASMN1; SMN2KDM4EALDH1A1GAA

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