SCHEMBL16004118

SCHEMBL16004118

CCN(Cc1ccc2c(c1)CN(C(=O)c1ccncc1)CCO2)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.47
GPR142 Q7Z601 5/20 0.42
RIPK1 Q13546 2/20 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
SCHEMBL16004128 0.90 PIK3CA (0.49) PIK3CARIPK1
SCHEMBL16004055 0.89 PIK3CA (0.49) PIK3CAGPR142RIPK1
SCHEMBL16004121 0.83 RIPK1 (0.40) PIK3CAGPR142RIPK1
SCHEMBL16004415 0.80 GPR142 (0.51) GPR142
SCHEMBL16004052 0.80 PIK3CA (0.52) PIK3CARIPK1
SCHEMBL16004054 0.79 PIK3CA (0.49) PIK3CARIPK1
SCHEMBL16004291 0.78 MAPT (0.47) GPR142RIPK1
SCHEMBL16004053 0.78 RIPK1 (0.49) PIK3CAGPR142RIPK1
SCHEMBL16003981 0.77 PIK3CA (0.44) PIK3CAGPR142RIPK1
SCHEMBL16004059 0.77 HPGD (0.47) PIK3CA

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-2014133414-A2 HETEROCYCLIC TGR5 BILE ACID RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ ЛЛС (US) 2014-09-04 WO disclosed