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Sugi Predict / Compounds / SCHEMBL16619862

SCHEMBL16619862

SCHEMBL16619862

CN(Cc1n[nH]c2c1CCC2)C(=O)c1ccc(C[C@@H]2CC[C@H](C(O)c3ccccc3)N2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.47
▸ SLC6A2 P23975 6/20 0.46
▸ KCNH2 Q12809 10/20 0.46
▸ ADRB2 P07550 5/20 0.46

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
SCHEMBL16619859 1.00 ADRB3 (0.47) ADRB3SLC6A2KCNH2ADRB2
SCHEMBL18017433 0.91 ADRB3 (0.39) ADRB3SLC6A2KCNH2ADRB2
SCHEMBL16619762 0.91 ADRB3 (0.49) ADRB3SLC6A2KCNH2ADRB2
SCHEMBL16619758 0.91 ADRB3 (0.49) ADRB3SLC6A2KCNH2ADRB2
SCHEMBL16620117 0.88 ADRB3 (0.37) ADRB3SLC6A2KCNH2ADRB2
SCHEMBL16620118 0.88 ADRB3 (0.37) ADRB3SLC6A2KCNH2ADRB2
SCHEMBL16619983 0.87 ADRB3 (0.37) ADRB3SLC6A2KCNH2ADRB2
SCHEMBL16619985 0.87 ADRB3 (0.37) ADRB3SLC6A2KCNH2ADRB2
SCHEMBL16629761 0.84 ADRB3 (0.49) ADRB3SLC6A2KCNH2ADRB2
SCHEMBL16619559 0.84 ADRB3 (0.49) ADRB3SLC6A2KCNH2ADRB2

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-3052099-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2016-08-10 — — EP disclosed
WO-2015050798-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 — — WO disclosed