SCHEMBL2126336

SCHEMBL2126336

O=C(O)[C@@](C[C@H]1CN2CCC1CC2)(c1ccccc1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.48
LMNA P02545 1/20 0.43
CHRM2 P08172 4/20 0.43
CHRM1 P11229 4/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 1/20 0.41
POLB P06746 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL2125962 1.00 CHRM3 (0.48) CHRM3LMNACHRM2CHRM1CHRM4
SCHEMBL2125965 1.00 CHRM3 (0.48) CHRM3LMNACHRM2CHRM1CHRM4
SCHEMBL2126331 1.00 CHRM3 (0.48) CHRM3LMNACHRM2CHRM1CHRM4
SCHEMBL23315208 0.74 LMNA (0.56) CHRM3LMNACHRM2CHRM1CHRM4
SCHEMBL19884935 0.74 LMNA (0.56) CHRM3LMNACHRM2CHRM1CHRM4
SCHEMBL2127685 0.73 CYP2B6 (0.50) CHRM3LMNACHRM2CHRM1CHRM4
SCHEMBL2128439 0.73 CYP2B6 (0.50) CHRM3LMNACHRM2CHRM1CHRM4
SCHEMBL7445903 0.72 CHRM3 (0.38) CHRM3LMNACHRM2CHRM1CHRM4
SCHEMBL7445905 0.72 CHRM3 (0.35) CHRM3LMNACHRM2CHRM1CHRM4
SCHEMBL327106 0.72 CYP2B6 (0.45) CHRM3LMNACHRM2CHRM1CHRM4

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-2121137-B1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2012-04-25 EP disclosed