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SCHEMBL7974523

SCHEMBL7974523

COC(=O)c1ccnc(-c2ccccc2)c1NCCN(CC(O[Si](C)(C)C(C)(C)C)c1cccc(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.35
▸ ADRB2 P07550 2/20 0.32
▸ ADRB1 P08588 2/20 0.32
▸ ADRB3 P13945 2/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ DCAF1 Q9Y4B6 1/20 0.32
▸ CKS1B P61024 1/20 0.31
▸ SKP1 P63208 1/20 0.31
▸ SKP2 Q13309 1/20 0.31
▸ CASR P41180 1/20 0.30

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
SCHEMBL7974519 1.00 ATR (0.35) ATRADRB2ADRB1ADRB3BACE1
SCHEMBL6432910 0.82 ADRB1 (0.32) ADRB2ADRB1ADRB3BACE1CASR
SCHEMBL6436830 0.82 ADRB1 (0.42) ADRB2ADRB1ADRB3BACE1CASR
SCHEMBL6432906 0.82 ADRB1 (0.32) ADRB2ADRB1ADRB3BACE1CASR
SCHEMBL6436834 0.82 ADRB1 (0.40) ADRB2ADRB1ADRB3
SCHEMBL6434526 0.82 CYP1A2 (0.35) CKS1BSKP1SKP2
SCHEMBL6433084 0.82 ADRB1 (0.42) ADRB2ADRB1ADRB3BACE1
SCHEMBL6434534 0.82 CYP1A2 (0.35) CKS1BSKP1SKP2
SCHEMBL6435848 0.81 ADRB1 (0.45) ADRB2ADRB1ADRB3CASR
SCHEMBL6432460 0.81 ADRB3 (0.52) ADRB2ADRB1ADRB3CASR

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