SCHEMBL16004283

SCHEMBL16004283

CCC(=O)N(C)Cc1ccc2c(c1)CN(C(=O)NC)CCO2

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 20/20 0.52

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
SCHEMBL16004285 0.90 CREBBP (0.54) CREBBP
SCHEMBL16004271 0.88 RIPK1 (0.45) CREBBP
SCHEMBL16004243 0.81 PIK3CA (0.40) CREBBP
SCHEMBL16004274 0.81 RIPK1 (0.46) CREBBP
SCHEMBL16004232 0.79 PIK3CA (0.49)
SCHEMBL16004269 0.79 RIPK1 (0.46) CREBBP
SCHEMBL16003958 0.78 CREBBP (0.56) CREBBP
SCHEMBL16004249 0.78 RIPK1 (0.41) CREBBP
SCHEMBL16004278 0.78 GPR142 (0.59)
SCHEMBL16004070 0.77 GPR142 (0.49) CREBBP

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