SCHEMBL6438622

SCHEMBL6438622

CCCCC1CCN(CCCN2C(=O)CCc3cccc(C)c32)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 20/20 0.72
CHRM5 P08912 17/20 0.72
CHRM3 P20309 17/20 0.72
CHRM2 P08172 16/20 0.72
CHRM4 P08173 16/20 0.72
DRD2 P14416 12/20 0.72
DRD4 P21917 12/20 0.72
DRD3 P35462 11/20 0.72
ADRA1D P25100 3/20 0.72
ADRA1A P35348 3/20 0.72
ADRA1B P35368 3/20 0.72
ADRB2 P07550 2/20 0.72
ADRB1 P08588 2/20 0.72
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
HRH1 P35367 1/20 0.51

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
SCHEMBL6439411 0.88 CHRM1 (0.70) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL6436172 0.88 CHRM1 (0.70) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL6441694 0.87 CHRM1 (0.68) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL6436346 0.85 CHRM1 (0.63) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL4096743 0.84 CHRM1 (0.63) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL29400334 0.84 CHRM2 (1.00) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL4100746 0.84 CHRM2 (1.00) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL6435446 0.83 CHRM1 (0.63) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL6434431 0.83 CHRM1 (0.51) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL4108189 0.83 CHRM1 (0.72) CHRM1CHRM5CHRM3CHRM2CHRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461318-B9 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-12-28 EP claimed
EP-1461318-B1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-09-14 EP claimed