SCHEMBL6437500

SCHEMBL6437500

CCCCC1CCN(CCCCN2C(=O)COc3cc(F)ccc32)CC1

nearest known ligand 0.96

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.96
CHRM5 P08912 5/20 0.96
CHRM3 P20309 5/20 0.96
DRD2 P14416 7/20 0.54
CHRM2 P08172 4/20 0.54
CHRM4 P08173 4/20 0.54
DRD4 P21917 3/20 0.54
DRD3 P35462 3/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
KCNH2 Q12809 2/20 0.50
HTR2A P28223 2/20 0.50
MCHR1 Q99705 2/20 0.50
NMT1 P30419 1/20 0.45
EGFR P00533 1/20 0.43

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
SCHEMBL29400529 0.98 CHRM1 (1.00) CHRM1CHRM5CHRM3DRD2CHRM2
SCHEMBL4069821 0.98 CHRM1 (1.00) CHRM1CHRM5CHRM3DRD2CHRM2
SCHEMBL4101669 0.90 CHRM1 (0.85) CHRM1CHRM5CHRM3DRD2CHRM2
SCHEMBL4484152 0.88 CHRM1 (0.82) CHRM1CHRM5CHRM3DRD2CHRM2
SCHEMBL27074531 0.87 CHRM1 (0.80) CHRM1CHRM5CHRM3DRD2CHRM2
SCHEMBL4098138 0.87 CHRM1 (0.80) CHRM1CHRM5CHRM3DRD2CHRM2
SCHEMBL4099093 0.86 CHRM1 (0.79) CHRM1CHRM5CHRM3DRD2CHRM2
SCHEMBL4090321 0.85 CHRM1 (0.75) CHRM1CHRM5CHRM3DRD2CHRM2
SCHEMBL4090317 0.85 CHRM1 (0.75) CHRM1CHRM5CHRM3DRD2CHRM2
SCHEMBL4104781 0.83 CHRM1 (0.74) CHRM1CHRM5CHRM3DRD2CHRM2

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