SCHEMBL12436

SCHEMBL12436

CC[C@H]1CCCN(CC(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.41
KDM4E B2RXH2 2/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2C P18825 1/20 0.38
BCHE P06276 1/20 0.37
POLB P06746 1/20 0.37
ACHE P22303 1/20 0.33
KMT2A Q03164 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 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
SCHEMBL27283973 1.00 PIK3CD (0.41) PIK3CDKDM4ECHRM5ADRA2CBCHE
SCHEMBL18427493 1.00 PIK3CD (0.41) PIK3CDKDM4ECHRM5ADRA2CBCHE
SCHEMBL18664005 0.88 PIK3CD (0.44) PIK3CDPOLBACHE
SCHEMBL19501163 0.88 PIK3CD (0.44) PIK3CDPOLBACHE
SCHEMBL24765448 0.86 PIK3CD (0.42) PIK3CDKDM4ECHRM5ADRA2CPOLB
SCHEMBL27284601 0.86 BCHE (0.34) PIK3CDKDM4EBCHEPOLB
SCHEMBL21369254 0.85 KDM4E (0.42) KDM4ECHRM5ADRA2CBCHEACHE
SCHEMBL23374535 0.85 PIK3CD (0.39) PIK3CDKDM4ECHRM5ADRA2CPOLB
SCHEMBL26345081 0.85 PIK3CD (0.41) PIK3CDKDM4ECHRM5ADRA2CPOLB
SCHEMBL10076884 0.83 BCHE (0.42) KDM4EBCHECARM1PRMT6

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
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed