SCHEMBL6449795

SCHEMBL6449795

CCCCC1CCN(CCCN2CCCc3ccc(CCCCC(F)(F)F)cc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.44
CHRM1 P11229 6/20 0.44
CHRM3 P20309 6/20 0.44
CHRM2 P08172 5/20 0.44
CHRM4 P08173 5/20 0.44
DRD2 P14416 4/20 0.44
DRD4 P21917 4/20 0.44
DRD3 P35462 4/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
HRH3 Q9Y5N1 4/20 0.43
ACHE P22303 5/20 0.43
MOGAT2 Q3SYC2 1/20 0.39
SPHK1 Q9NYA1 2/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL4095303 0.82 CHRM1 (0.51) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL6449798 0.79 CHRM5 (0.42) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL4095310 0.78 CHRM1 (0.65) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL6449794 0.77 CHRM1 (0.46) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL4103062 0.75 CHRM1 (0.48) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL4095905 0.69 CHRM1 (0.51) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL4097021 0.68 CHRM1 (0.47) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL4091534 0.66 CHRM1 (0.52) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL7784603 0.65 SPHK1 (0.55) SPHK1
SCHEMBL7784597 0.65 SPHK1 (0.55) SPHK1

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