SCHEMBL7010834

SCHEMBL7010834

CCCCC1CCN(C(CCC=O)c2cc(OC)ccc2N)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.34
HTR4 Q13639 8/20 0.34
ACHE P22303 3/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR1D P28221 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33
GRM2 Q14416 2/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL8600560 0.69 MEN1 (0.44) HTR4ACHEKMT2AMEN1ALDH1A1
SCHEMBL5458615 0.67 CHRM1 (0.35) DPP4ACHECHRM4CHRM5CHRM3
SCHEMBL5345346 0.66 CHRM5 (0.35) CHRM5CHRM3
SCHEMBL5345355 0.66 CHRM1 (0.60) HTR4ACHECHRM4CHRM5ADRA2C
SCHEMBL13597045 0.64 DPP4 (0.53) DPP4CYP2D6CYP2C9USP2
SCHEMBL6523687 0.64 ADRA1D (0.41) HTR4ACHEADRA1B
SCHEMBL4485151 0.63 DPP4 (0.36) DPP4CHRM4CHRM5CHRM3ADRA1B
SCHEMBL8971080 0.62 ACHE (0.41) HTR4ACHE
SCHEMBL4510428 0.62 TYR (0.34) DPP4ACHECHRM4CHRM5CHRM3
SCHEMBL13596996 0.61 MEN1 (0.57) ACHEKMT2AMEN1ALDH1A1CYP2D6

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-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 WO disclosed