SCHEMBL9685173

SCHEMBL9685173

NC(=O)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 19/20 0.69
ADRB3 P13945 19/20 0.69
ADRB2 P07550 10/20 0.64
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL9685167 1.00 ADRB1 (0.69) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL9787280 0.93 ADRB1 (0.60) ADRB1ADRB3ADRB2
SCHEMBL7091323 0.89 ADRB3 (0.79) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL9330126 0.87 ADRB1 (0.68) ADRB1ADRB3ADRB2
SCHEMBL27478454 0.86 ADRB1 (0.78) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL9817936 0.85 ADRB1 (0.73) ADRB1ADRB3ADRB2
SCHEMBL7119163 0.85 ADRB3 (0.79) ADRB1ADRB3ADRB2
SCHEMBL8758078 0.84 ADRB3 (0.77) ADRB1ADRB3ADRB2
SCHEMBL9332316 0.84 ADRB3 (0.77) ADRB1ADRB3ADRB2
SCHEMBL9684119 0.84 MEN1 (0.76) ADRB1ADRB3ADRB2MEN1KMT2A

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