SCHEMBL30490482

SCHEMBL30490482

O=c1ccc2c([C@@H](O)CBr)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.46
ADRB1 P08588 12/20 0.46
DRD2 P14416 2/20 0.43
DRD1 P21728 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 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
SCHEMBL2568651 1.00 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL99134 1.00 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL1206182 0.89 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2795110 0.89 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18993729 0.89 ADRB2 (0.49) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL25666134 0.89 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL25666155 0.89 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18946383 0.88 ADRB2 (0.48) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL1973360 0.88 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18993739 0.88 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4

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-116555205-A Asymmetric reduction method of carbonyl by using carbonyl reductase and mutant thereof 上海合全药业股份有限公司 2023-08-08 CN disclosed