SCHEMBL9685069

SCHEMBL9685069

NC(=O)c1ccc(CCNC[C@H](O)COc2ccccc2)s1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 11/20 0.54
ADRB3 P13945 11/20 0.54
ADRB2 P07550 4/20 0.52
CYP1A2 P05177 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
ATM Q13315 1/20 0.50

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
SCHEMBL9685064 1.00 ADRB1 (0.54) ADRB1ADRB3ADRB2CYP1A2MEN1
SCHEMBL9685473 0.93 ADRB1 (0.50) ADRB1ADRB3ADRB2CYP1A2MEN1
SCHEMBL9685479 0.93 ADRB1 (0.50) ADRB1ADRB3ADRB2CYP1A2MEN1
SCHEMBL9684254 0.85 MEN1 (0.61) ADRB1ADRB3ADRB2CYP1A2MEN1
SCHEMBL9684249 0.85 MEN1 (0.61) ADRB1ADRB3ADRB2CYP1A2MEN1
SCHEMBL9684877 0.81 ADRB1 (0.51) ADRB1ADRB3ADRB2CYP1A2MEN1
SCHEMBL9684869 0.81 ADRB1 (0.51) ADRB1ADRB3ADRB2CYP1A2MEN1
SCHEMBL9683298 0.80 ADRB1 (0.57) ADRB1ADRB3ADRB2CYP1A2MEN1
SCHEMBL9683292 0.80 ADRB1 (0.57) ADRB1ADRB3ADRB2CYP1A2MEN1
SCHEMBL10725017 0.80 BCAT2 (0.48) ADRB1ADRB3ADRB2

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
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed