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SCHEMBL1661256

SCHEMBL1661256

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCN1)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.54
▸ NMUR1 Q9HB89 4/20 0.54
▸ REN P00797 1/20 0.51

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
SCHEMBL29715890 0.84 NMUR2 (0.54) NMUR2NMUR1REN
SCHEMBL13599743 0.83 KDM1A (0.55) NMUR2NMUR1REN
SCHEMBL31208560 0.82 NTSR2 (0.55) NMUR2NMUR1REN
SCHEMBL30248935 0.82 REN (0.52) NMUR2NMUR1REN
Acetic Acid SCHEMBL11289266 0.81 OPRM1 (0.69) —
SCHEMBL31239104 0.81 NMUR2 (0.58) NMUR2NMUR1
SCHEMBL30233455 0.80 STAT3 (0.52) NMUR2NMUR1REN
SCHEMBL31362679 0.80 SLC6A2 (0.56) REN
SCHEMBL2183679 0.80 REN (0.47) NMUR2NMUR1REN
SCHEMBL31226868 0.79 SLC6A2 (0.64) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011050206-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SINONASAL DISORDERS OTONOMY, INC. (US) 2011-04-28 — — WO disclosed
WO-2011049960-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SINONASAL DISORDERS OTONOMY, INC. (US) 2011-04-28 — — WO disclosed
WO-2011049958-A2 MODULATION OF GEL TEMPERATURE OF POLOXAMER-CONTAINING FORMULATIONS OTONOMY, INC. (US) 2011-04-28 — — WO disclosed
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