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Sugi Predict / Compounds / SCHEMBL3625091

SCHEMBL3625091

SCHEMBL3625091

CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)c(NC=O)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.59
▸ CHRM3 P20309 2/20 0.41

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
SCHEMBL3625089 1.00 ADRB2 (0.59) ADRB2CHRM3
SCHEMBL3627176 0.92 ADRB2 (0.50) ADRB2CHRM3
SCHEMBL3627170 0.92 ADRB2 (0.50) ADRB2CHRM3
SCHEMBL3629058 0.91 ADRB2 (0.46) ADRB2
SCHEMBL3629054 0.91 ADRB2 (0.46) ADRB2
SCHEMBL13807627 0.89 ADRB2 (0.44) ADRB2
SCHEMBL5069535 0.89 ADRB2 (0.63) ADRB2CHRM3
SCHEMBL5580669 0.89 ADRB2 (0.63) ADRB2CHRM3
SCHEMBL3619535 0.86 ADRB2 (0.45) ADRB2
SCHEMBL3619529 0.86 ADRB2 (0.45) ADRB2

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-1730103-B1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LTD (GB) 2010-05-26 — — EP disclosed