SCHEMBL7964112

SCHEMBL7964112

COC(=O)c1ccncc1-c1cccc(NC[C@@H](C)N(C[C@H](O[Si](C)(C)C(C)(C)C)c2cccc(Cl)c2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 16/20 0.44
ADRB3 P13945 16/20 0.44
ADRB2 P07550 14/20 0.37
PDE4B Q07343 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
KLRK1 P26718 1/20 0.31
MICA Q29983 1/20 0.31
RAET1L Q5VY80 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
SCHEMBL7964109 1.00 ADRB1 (0.44) ADRB1ADRB3ADRB2PDE4BPIM1
SCHEMBL6432600 0.92 ADRB1 (0.45) ADRB1ADRB3ADRB2
SCHEMBL6432603 0.92 ADRB1 (0.45) ADRB1ADRB3ADRB2
SCHEMBL6437274 0.89 ADRB1 (0.43) ADRB1ADRB3ADRB2
SCHEMBL6432983 0.89 ADRB1 (0.43) ADRB1ADRB3ADRB2
SCHEMBL6433079 0.87 ADRB3 (0.48) ADRB1ADRB3ADRB2
SCHEMBL6433080 0.87 ADRB3 (0.48) ADRB1ADRB3ADRB2
SCHEMBL6435349 0.87 ADRB1 (0.44) ADRB1ADRB3ADRB2
SCHEMBL7977640 0.87 ADRB1 (0.49) ADRB1ADRB3ADRB2
SCHEMBL7977641 0.87 ADRB1 (0.49) ADRB1ADRB3ADRB2

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
WO-2001042217-A1 BETA-3 ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-14 WO disclosed