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Sugi Predict / Compounds / SCHEMBL15501104

SCHEMBL15501104

SCHEMBL15501104

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(=O)N3Cc4cccc(F)c4C3)C[C@H]1C(=O)N2OC(C)(C)O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31

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
SCHEMBL497360 0.92 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL497208 0.92 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL497209 0.92 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL497700 0.91 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL497701 0.91 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL497392 0.90 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL27412783 0.90 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL497391 0.90 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL15501097 0.89 ADRB3 (0.32) ADRB3ADRA2BADRA2C
SCHEMBL497884 0.87 ADRB3 (0.39) ADRB3ADRA2BADRA2C

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
EP-2323981-B1 PROCESS FOR THE PREPARATION OF A MACROCYCLE HOFFMANN LA ROCHE (CH) 2014-03-12 — — EP disclosed
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