SCHEMBL16295171

SCHEMBL16295171

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N4CCCC4C(=O)O)cc3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ACE P12821 11/20 0.43
▸ ACE2 Q9BYF1 9/20 0.43
▸ PRCP P42785 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ S1PR5 Q9H228 2/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38

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
SCHEMBL16342948 1.00 L3MBTL1 (0.44) L3MBTL1ACEACE2PRCPTSHR
SCHEMBL19465510 1.00 L3MBTL1 (0.44) L3MBTL1ACEACE2PRCPTSHR
SCHEMBL15037156 1.00 L3MBTL1 (0.44) L3MBTL1ACEACE2PRCPTSHR
SCHEMBL15037148 1.00 L3MBTL1 (0.44) L3MBTL1ACEACE2PRCPTSHR
SCHEMBL16380213 0.98 L3MBTL1 (0.42) L3MBTL1ACEACE2PRCPTSHR
SCHEMBL16305832 0.96 ITGB1 (0.39) L3MBTL1ACEACE2PRCPS1PR5
SCHEMBL16305381 0.96 ITGB1 (0.39) L3MBTL1ACEACE2PRCPS1PR5
SCHEMBL16305544 0.96 ITGB1 (0.39) L3MBTL1ACEACE2PRCPS1PR5
SCHEMBL17834429 0.94 ACE (0.41) L3MBTL1ACEACE2PRCPTSHR
SCHEMBL16343394 0.93 ACE (0.46) L3MBTL1ACEACE2PRCPITGB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008056-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2016-04-20 — — EP disclosed
WO-2014201172-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2014-12-18 — — WO disclosed
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