SCHEMBL6507577

SCHEMBL6507577

C[C@H](NC(=O)Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)cc2)c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.59
CHRM3 P20309 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL3924113 0.92 ADRB2 (0.57) ADRB2CHRM3ALDH1A1KDM4EMAPT
SCHEMBL6533350 0.89 ADRB2 (0.60) ADRB2CHRM3ADRB1ADRB3
SCHEMBL6533863 0.87 ADRB2 (0.58) ADRB2CHRM3ADRB1
SCHEMBL6506204 0.86 ADRB2 (0.78) ADRB2CHRM3ADRB1
SCHEMBL6531334 0.86 ADRB2 (0.62) ADRB2CHRM3ADRB1
SCHEMBL6531338 0.86 ADRB2 (0.62) ADRB2CHRM3ADRB1
SCHEMBL6533625 0.85 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL6506682 0.85 ADRB2 (0.59) ADRB2ADRB1ADRB3
SCHEMBL6533241 0.85 ADRB2 (0.55) ADRB2CHRM3ADRB1
SCHEMBL6528643 0.84 ADRB2 (0.59) ADRB2CHRM3ADRB1

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-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO disclosed