SCHEMBL9683373

SCHEMBL9683373

O[C@@H](CNCCc1ccc(Oc2ccccc2)cc1)COc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.74
ADRB1 P08588 18/20 0.74
ADRB2 P07550 11/20 0.72
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62

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
SCHEMBL9683368 1.00 ADRB3 (0.74) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL7122769 0.94 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL15275450 0.91 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL27478454 0.91 ADRB1 (0.78) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL9683296 0.89 ADRB3 (0.86) ADRB3ADRB1ADRB2
SCHEMBL9330198 0.89 ADRB3 (0.86) ADRB3ADRB1ADRB2
SCHEMBL7119163 0.88 ADRB3 (0.79) ADRB3ADRB1ADRB2
SCHEMBL18651970 0.88 ADRB3 (0.79) ADRB3ADRB1ADRB2
SCHEMBL9817936 0.88 ADRB1 (0.73) ADRB3ADRB1ADRB2
SCHEMBL9332316 0.87 ADRB3 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed