SCHEMBL4501044

SCHEMBL4501044

CCCC=C1CCN(CC(C)CN2C(=O)CCc3ccccc32)CC1.CCCOC1CCN(CC(C)CN2C(=O)CCc3ccccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 16/20 0.42
CHRM4 P08173 16/20 0.42
CHRM5 P08912 16/20 0.42
CHRM1 P11229 16/20 0.42
CHRM3 P20309 16/20 0.42
DRD2 P14416 12/20 0.42
DRD3 P35462 12/20 0.42
DRD4 P21917 11/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL4096528 0.91 CHRM1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4096526 0.91 CHRM1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4096268 0.89 DRD3 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4096266 0.89 DRD3 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4097824 0.78 CHRM1 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4097825 0.78 CHRM1 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4096001 0.77 CHRM1 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4095999 0.77 CHRM1 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6437869 0.77 CHRM1 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4090302 0.76 CHRM1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3

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
US-7576100-B2 Muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2009-08-18 US claimed