SCHEMBL6435536

SCHEMBL6435536

CCCOC1CCN(CC(C)CN2C(=O)CCc3ccc(C)c(F)c32)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.35
CHRM2 P08172 6/20 0.35
CHRM4 P08173 6/20 0.35
CHRM5 P08912 6/20 0.35
CHRM3 P20309 6/20 0.35
DRD2 P14416 5/20 0.32
DRD4 P21917 4/20 0.32
DRD3 P35462 4/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
KCNH2 Q12809 1/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30

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
SCHEMBL6438655 0.92 CHRM1 (0.35) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6437869 0.86 CHRM1 (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6437575 0.84 CHRM1 (0.48) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4096132 0.82 CHRM1 (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4096130 0.82 CHRM1 (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4097824 0.81 CHRM1 (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4097825 0.81 CHRM1 (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4090302 0.80 CHRM1 (0.45) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4090300 0.80 CHRM1 (0.45) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4096528 0.80 CHRM1 (0.49) CHRM1CHRM2CHRM4CHRM5CHRM3

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