SCHEMBL16004249

SCHEMBL16004249

CNCC(=O)N1CCOc2ccc(CN(C)C(C)=O)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.41
CREBBP Q92793 13/20 0.41
GPR142 Q7Z601 1/20 0.38
PIK3CA P42336 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL16004274 0.88 RIPK1 (0.46) RIPK1CREBBPGPR142PIK3CAMEN1
SCHEMBL16004236 0.87 KDM4E (0.43) RIPK1CREBBPGPR142PIK3CAMEN1
SCHEMBL16004285 0.87 CREBBP (0.54) CREBBP
SCHEMBL16004269 0.87 RIPK1 (0.46) RIPK1CREBBPGPR142PIK3CAMEN1
SCHEMBL16004233 0.84 GPR142 (0.47) RIPK1GPR142PIK3CAKMT2A
SCHEMBL16004244 0.84 GPR142 (0.37) RIPK1CREBBPGPR142MEN1KMT2A
SCHEMBL16004052 0.81 PIK3CA (0.52) RIPK1PIK3CA
SCHEMBL16004278 0.81 GPR142 (0.59) GPR142
SCHEMBL16004055 0.80 PIK3CA (0.49) RIPK1GPR142PIK3CAMEN1KMT2A
SCHEMBL16004054 0.80 PIK3CA (0.49) RIPK1CREBBPPIK3CAMEN1KMT2A

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