SCHEMBL2125963

SCHEMBL2125963

C[C@@](C(=O)O)(c1ccccc1C1CN2CCC1CC2)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.52
CHRNA7 P36544 1/20 0.43
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2126334 1.00 CHRM3 (0.52) CHRM3CHRNA7CHRM2CHRM1KDM4E
SCHEMBL5712869 0.76 CHRM2 (0.53) CHRM3CHRNA7CHRM2CHRM1
SCHEMBL327105 0.73 CYP2B6 (0.42) CHRM3KDM4EALDH1A1
SCHEMBL2127690 0.73 CYP2B6 (0.45) CHRM3KDM4EALDH1A1POLB
SCHEMBL2128441 0.73 CYP2B6 (0.45) CHRM3KDM4EALDH1A1POLB
SCHEMBL4971345 0.70 CHRNA7 (0.56) CHRM3CHRNA7CHRM2CHRM1KDM4E
SCHEMBL2128977 0.70 CHRM3 (0.98) CHRM3CHRM2CHRM1
SCHEMBL2127514 0.70 CHRM3 (0.98) CHRM3CHRM2CHRM1
SCHEMBL1683013 0.70 CHRM3 (0.98) CHRM3CHRM2CHRM1
SCHEMBL3306597 0.70 CHRM3 (0.98) CHRM3CHRM2CHRM1

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