Sugi Predict

Sugi Predict / Compounds / SCHEMBL29631439

SCHEMBL29631439

SCHEMBL29631439

COc1cc(C(=O)NCCNC(=O)c2ccc(COc3cccc([C@](O)(C(=O)OCC4CCN(Cc5ccccc5)CC4)c4ccccc4)c3)cc2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.89
▸ CHRM3 P20309 20/20 0.89

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
SCHEMBL17978799 1.00 ADRB2 (0.89) ADRB2CHRM3
SCHEMBL29631217 0.97 ADRB2 (0.86) ADRB2CHRM3
SCHEMBL17985943 0.97 ADRB2 (0.86) ADRB2CHRM3
SCHEMBL20307336 0.97 ADRB2 (0.86) ADRB2CHRM3
SCHEMBL17978708 0.96 ADRB2 (0.87) ADRB2CHRM3
SCHEMBL29631135 0.95 ADRB2 (0.82) ADRB2CHRM3
SCHEMBL17985931 0.95 ADRB2 (0.82) ADRB2CHRM3
SCHEMBL29631079 0.94 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL17986007 0.94 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL17986005 0.94 ADRB2 (1.00) ADRB2CHRM3

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-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 — — EP disclosed
Send feedback