SCHEMBL6574874

SCHEMBL6574874

CN1C2CCC1CC(Sc1ccc(N)[c]c1Cl)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SLC6A2 P23975 4/20 0.35
CHRM1 P11229 3/20 0.35
SLC6A4 P31645 3/20 0.35
DRD3 P35462 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP2D6 P10635 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HTT P42858 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
SCHEMBL5664764 0.77 PDE7A (0.41) SLC6A2CHRM1SLC6A4DRD3SLC6A3
SCHEMBL14573390 0.77 PDE7A (0.41) SLC6A2CHRM1SLC6A4DRD3SLC6A3
SCHEMBL5635312 0.76 SLC6A2 (0.34) MEN1KMT2ASLC6A2CHRM1SLC6A4
SCHEMBL5636187 0.76 SLC6A2 (0.41) MEN1KMT2ASLC6A2CHRM1SLC6A4
SCHEMBL5636183 0.76 SLC6A2 (0.41) MEN1KMT2ASLC6A2CHRM1SLC6A4
Hydrochloric Acid SCHEMBL5634885 0.74 LMNA (0.35) MEN1KMT2ASLC6A2CHRM1SLC6A4
SCHEMBL5637614 0.73 CHRM1 (0.35) MEN1KMT2ASLC6A2CHRM1SLC6A4
SCHEMBL5636317 0.72 SLC6A2 (0.39) SLC6A2CHRM1SLC6A4DRD3SLC6A3
SCHEMBL5636611 0.72 CHRM3 (0.37) MEN1KMT2ASLC6A2CHRM1SLC6A4
SCHEMBL14573396 0.71 CHRM1 (0.38) MEN1KMT2ASLC6A2CHRM1SLC6A4

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-1472248-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-11-03 EP disclosed
WO-2003062235-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 WO disclosed