SCHEMBL7701788

SCHEMBL7701788

CCOC(=O)C1CCN(C(=O)N2CCC(Nc3ccc(CCNCC(O)COc4ccc(O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)cc4)cc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.55
ADRB1 P08588 16/20 0.55
ADRB2 P07550 1/20 0.52
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7239922 1.00 ADRB3 (0.55) ADRB3ADRB1ADRB2USP2ALDH1A1
SCHEMBL7600554 0.88 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL7094525 0.88 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL7094990 0.88 ADRB3 (0.63) ADRB3ADRB1ADRB2
SCHEMBL7094254 0.88 ADRB3 (0.73) ADRB3ADRB1ADRB2
SCHEMBL7091450 0.87 ADRB3 (0.74) ADRB3ADRB1ADRB2
SCHEMBL7092285 0.86 ADRB3 (0.64) ADRB3ADRB1ADRB2
SCHEMBL7092157 0.86 ADRB3 (0.73) ADRB3ADRB1ADRB2
SCHEMBL7091280 0.86 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL7699121 0.86 ADRB3 (0.61) ADRB3ADRB1ADRB2

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-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed