SCHEMBL15468335

SCHEMBL15468335

C[C@@H]1CCN2CCC[C@H](C)C(=O)N12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
KMT2A Q03164 1/20 0.32
PER2 O15055 1/20 0.31

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
SCHEMBL15468331 0.90 PIK3CD (0.41) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL8300656 0.79 CHRM2 (0.37) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL8300970 0.75 CHRM2 (0.31) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL13259969 0.74 ACE (0.36) KMT2A
SCHEMBL22450007 0.71
SCHEMBL218415 0.69
SCHEMBL16657578 0.69
SCHEMBL18656838 0.69
SCHEMBL10079645 0.68 PIK3CD (0.44) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL23897743 0.67

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
US-8648094-B2 IAP BIR domain binding compounds PHARMASCIENCE, INC. (CA) 2014-02-11 US disclosed