SCHEMBL10305189

SCHEMBL10305189

N[C@H](Cc1ccc(I)cc1)C(=O)N1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.68
▸ HDAC8 Q9BY41 6/20 0.50
▸ DPP7 Q9UHL4 8/20 0.48
▸ AKT1 P31749 1/20 0.45
▸ DPP8 Q6V1X1 1/20 0.45

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
SCHEMBL14390395 0.86 HDAC8 (0.67) DPP4HDAC8DPP7
SCHEMBL15382612 0.84 DPP4 (0.57) DPP4HDAC8DPP7AKT1DPP8
SCHEMBL18492870 0.84 DPP4 (0.64) DPP4HDAC8DPP7AKT1DPP8
SCHEMBL23211269 0.84 DPP4 (0.57) DPP4HDAC8DPP7AKT1DPP8
SCHEMBL3136106 0.84 DPP4 (0.64) DPP4HDAC8DPP7AKT1DPP8
SCHEMBL1040335 0.84 HDAC8 (0.69) DPP4HDAC8DPP7AKT1DPP8
SCHEMBL368452 0.84 HDAC8 (0.69) DPP4HDAC8DPP7AKT1DPP8
SCHEMBL1619160 0.84 HDAC8 (0.69) DPP4HDAC8DPP7AKT1DPP8
SCHEMBL23211353 0.83 DPP7 (0.56) DPP4HDAC8DPP7AKT1DPP8
SCHEMBL23211354 0.83 DPP7 (0.56) DPP4HDAC8DPP7AKT1DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474534-A1 3-Aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic and/or immunostimulant activity Allergan, Inc. (US) 2012-07-11 — — EP disclosed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 — — US disclosed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 — — US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 — — US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 — — US disclosed
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