SCHEMBL6890113

SCHEMBL6890113

CSc1ncc(Cc2cc(C(=O)NC3CCOCC3)nc3ccccc23)cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.49
BRD4 O60885 2/20 0.48
PDE4B Q07343 1/20 0.45
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ADAM17 P78536 3/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP10 P09238 1/20 0.42
RAB9A P51151 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
SCHEMBL2224783 0.87 CHRM1 (0.54) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL6891432 0.85 CHRM1 (0.51) CHRM1BRD4MAPK1ADAM17RAB9A
SCHEMBL2275591 0.84 CHRM1 (0.53) CHRM1BRD4
SCHEMBL6892030 0.84 CHRM1 (0.52) CHRM1BRD4ADAM17MMP3MMP7
SCHEMBL12803234 0.83 CHRM1 (0.53) CHRM1ADAM17
SCHEMBL6890080 0.80 BRD4 (0.47) CHRM1BRD4LMNAMAPK1ADAM17
SCHEMBL6890076 0.80 KCNH2 (0.48) LMNARAB9A
SCHEMBL6889946 0.80 IGFBP5 (0.46) LMNA
SCHEMBL6889896 0.80 CHRM1 (0.78) CHRM1BRD4
SCHEMBL6890837 0.79 CHRM1 (0.69) CHRM1BRD4

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