SCHEMBL27555656

SCHEMBL27555656

O=C(O)c1ccc2c(c1)CC[C@H](CNCC(O)c1cccnc1)O2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.52
ADRB1 P08588 6/20 0.43
ADRB2 P07550 4/20 0.41
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
TBXAS1 P24557 1/20 0.39
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
DRD3 P35462 4/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38

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 1.00 ADRB3 (0.52) ADRB3ADRB1ADRB2HTR1AHTR1D
SCHEMBL6600472 0.93 ADRB3 (0.62) ADRB3ADRB1ADRB2
SCHEMBL6280119 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6406655 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6447612 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6286558 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6280116 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6286567 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6406650 0.91 ADRB3 (0.50) ADRB3ADRB1ADRB2
SCHEMBL6283260 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
CN-1284952-A Carboxyl substituted chroman derivatives useful as beta 3 adrenoreceptor agonists BAYER AG (US) 2001-02-21 CN disclosed