SCHEMBL6600472

SCHEMBL6600472

O=C(O)c1ccc(-c2ccc3c(c2)CCC(CNC[C@H](O)c2cccnc2)O3)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.62
ADRB1 P08588 9/20 0.49
ADRB2 P07550 2/20 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
SCHEMBL6861258 0.93 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL27555656 0.93 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL6284036 0.91 ADRB3 (0.51) ADRB3ADRB1
SCHEMBL6284043 0.91 ADRB3 (0.51) ADRB3ADRB1
SCHEMBL6282253 0.91 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL6282257 0.91 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL6283260 0.90 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL6284980 0.90 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL6284985 0.90 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL6283497 0.90 ADRB3 (0.51) 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-1389202-B1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORP (US) 2004-09-29 EP claimed