SCHEMBL14918149

SCHEMBL14918149

N#Cc1cnc(N2CCC(CNC(=O)O)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 15/20 0.47
CHRM3 P20309 3/20 0.47
CHRM5 P08912 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM2 P08172 3/20 0.46

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
SCHEMBL1729285 0.84 CHRM4 (0.57) CHRM4CHRM5CHRM1CHRM2
SCHEMBL26126580 0.83 CHRM4 (0.45) CHRM4CHRM3CHRM5CHRM1CHRM2
SCHEMBL14932798 0.83 CKS1B (0.54) CHRM4CHRM3CHRM5CHRM1CHRM2
SCHEMBL1729015 0.81 KDM4E (0.47) CHRM4
SCHEMBL30549260 0.79 PARP1 (0.45) CHRM4CHRM3CHRM5CHRM1CHRM2
SCHEMBL1728729 0.79 KDM4E (0.49)
SCHEMBL26123479 0.79 CHRM3 (0.46) CHRM4CHRM3CHRM5CHRM1CHRM2
SCHEMBL16208933 0.77 SCN9A (0.44)
SCHEMBL17712642 0.75 CHRM3 (0.45) CHRM4CHRM3CHRM5CHRM1CHRM2
SCHEMBL14812128 0.74 KDM4E (0.44)

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-2013066831-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed