SCHEMBL2439970

SCHEMBL2439970

C1CCCN(CC2CCC[N]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.46
ADRA2C P18825 1/20 0.46
ACHE P22303 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL713122 0.98 CHRM5 (0.43) CHRM5ADRA2C
SCHEMBL39245 0.98 CHRM5 (0.43) CHRM5ADRA2C
SCHEMBL2439043 0.94 CHRM5 (0.50) CHRM5ADRA2CACHEHRH3LMNA
SCHEMBL1489984 0.91 CHRM5 (0.46) CHRM5ADRA2CACHECYP1A2SMN1; SMN2
SCHEMBL3558127 0.86 ADRA2C (0.50) CHRM5ADRA2CACHEHRH3LMNA
SCHEMBL3553234 0.84 CHRM5 (0.46) CHRM5ADRA2CACHELMNA
SCHEMBL7114598 0.83 ACHE (0.31) CHRM5ADRA2CACHE
SCHEMBL145046 0.82 KCNA3 (0.31)
SCHEMBL7470700 0.82 ACHE (0.31) ACHEHRH3
SCHEMBL665254 0.82 GAA (0.36) HRH3CYP1A2SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed