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SCHEMBL16004234

SCHEMBL16004234

Cc1ccccc1NC(=O)N1CCOc2ccc(C(C)OCc3cccc(F)c3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR142 Q7Z601 14/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RIPK1 Q13546 1/20 0.40
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CREBBP Q92793 2/20 0.38
▸ POLB P06746 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
SCHEMBL16004239 0.89 GPR142 (0.47) GPR142RIPK1
SCHEMBL16004240 0.89 GPR142 (0.47) GPR142RIPK1
SCHEMBL16004008 0.85 GPR142 (0.42) GPR142SMN1; SMN2RIPK1
SCHEMBL16004014 0.85 GPR142 (0.42) GPR142SMN1; SMN2RIPK1
SCHEMBL16004007 0.85 GPR142 (0.42) GPR142SMN1; SMN2RIPK1
SCHEMBL16004165 0.79 GPR142 (0.42) GPR142SMN1; SMN2RIPK1NPC1CREBBP
SCHEMBL16004153 0.79 GPR142 (0.42) GPR142SMN1; SMN2RIPK1NPC1CREBBP
SCHEMBL16004149 0.79 GPR142 (0.42) GPR142SMN1; SMN2RIPK1NPC1CREBBP
SCHEMBL16004157 0.75 GPR142 (0.58) GPR142
SCHEMBL16004156 0.74 GPR142 (0.57) GPR142RAB9A

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