SCHEMBL9685362

SCHEMBL9685362

C[C@H](Cc1ccc([C@@H](C)CC(=O)O)cc1)NC[C@H](O)COc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.60
ADRB1 P08588 12/20 0.60
ADRB2 P07550 7/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP2D6 P10635 2/20 0.54
FFAR1 O14842 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
DPP4 P27487 1/20 0.47

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
SCHEMBL9685356 1.00 ADRB3 (0.60) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL9684291 0.85 ADRB3 (0.61) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL9684286 0.85 ADRB3 (0.61) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL9685359 0.83 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1KMT2A
Hydrochloric Acid SCHEMBL9683325 0.83 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL9684195 0.83 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL9684201 0.83 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1KMT2A
Hydrochloric Acid SCHEMBL9683322 0.83 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL9685355 0.83 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL9812077 0.83 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1KMT2A

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