SCHEMBL6225697

SCHEMBL6225697

C[C@H](Cc1c[nH]c2c(O[C@H](C(=O)O)c3ccccc3)cccc12)NC[C@@H](O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.57
ADRB1 P08588 11/20 0.55
ADRB2 P07550 11/20 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
SCHEMBL6225691 1.00 ADRB3 (0.57) ADRB3ADRB1ADRB2
SCHEMBL6227973 1.00 ADRB3 (0.57) ADRB3ADRB1ADRB2
SCHEMBL6227966 1.00 ADRB3 (0.57) ADRB3ADRB1ADRB2
SCHEMBL6227889 0.91 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL6227902 0.91 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL5477526 0.91 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL5477534 0.91 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL5486929 0.91 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL5486923 0.91 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL5486539 0.90 ADRB3 (0.56) 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
EP-1514869-A1 INDOLE, INDAZOLE, AND BENZAZOLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-03-16 EP disclosed