SCHEMBL6257130

SCHEMBL6257130

C[C@H](Cc1ccc(CC(=O)NCCCc2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.64
ADRB1 P08588 15/20 0.64
CHRM3 P20309 2/20 0.55

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
SCHEMBL6257135 1.00 ADRB2 (0.64) ADRB2ADRB1CHRM3
SCHEMBL6251512 0.94 ADRB2 (0.62) ADRB2ADRB1CHRM3
SCHEMBL6251516 0.94 ADRB2 (0.62) ADRB2ADRB1CHRM3
SCHEMBL6253549 0.90 ADRB2 (0.66) ADRB2ADRB1CHRM3
SCHEMBL6253558 0.90 ADRB2 (0.66) ADRB2ADRB1CHRM3
SCHEMBL18993233 0.86 ADRB2 (0.78) ADRB2ADRB1
SCHEMBL5457160 0.86 ADRB2 (0.78) ADRB2ADRB1
SCHEMBL6253567 0.84 ADRB2 (0.65) ADRB2ADRB1CHRM3
SCHEMBL6253563 0.84 ADRB2 (0.65) ADRB2ADRB1CHRM3
SCHEMBL6256984 0.84 ADRB2 (0.61) ADRB2ADRB1CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1574501-A1 Quinolinone derivatives, pharmaceutical compositions containing them and their use Pfizer Limited (GB) 2005-09-14 EP claimed
EP-1574501-A1 Quinolinone derivatives, pharmaceutical compositions containing them and their use Pfizer Limited (GB) 2005-09-14 EP disclosed