SCHEMBL6892513

SCHEMBL6892513

Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCCCC4)nc4ccccc34)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.64
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL2270418 0.89 CHRM1 (0.78) CHRM1
SCHEMBL6890001 0.82 SMN1; SMN2 (0.51) KDM4ERAB9A
SCHEMBL6892258 0.82 GAA (0.56) KDM4ERAB9A
SCHEMBL18756582 0.81 CHRM1 (0.59) CHRM1
SCHEMBL6888967 0.81 MAPT (0.57) RAB9A
SCHEMBL6891034 0.81 CHRM1 (0.65) CHRM1
SCHEMBL18725352 0.80 CHRM1 (0.59) CHRM1
SCHEMBL6892642 0.80 TSHR (0.49) CHRM1RAB9A
SCHEMBL17656777 0.79 CHRM1 (0.51) CHRM1KDM4ERAB9A
SCHEMBL6893778 0.79 CHRM1 (0.51) CHRM1KDM4ERAB9A

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