SCHEMBL6242580

SCHEMBL6242580

CC(C)(C)C(CN(C[C@H](O)c1cccc(Cl)c1)C(=O)O)c1ccc(Sc2ccc(O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.42
ADRB1 P08588 9/20 0.35
POLB P06746 1/20 0.34
ADRB2 P07550 6/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
BACE1 P56817 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A9 P48067 1/20 0.33

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
SCHEMBL9542004 0.94 ADRB3 (0.38) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL6804979 0.87 HSD11B1 (0.36) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL4463534 0.82 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL4463530 0.82 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL6239352 0.76 ADRB3 (0.42) ADRB3ADRB1ADRB2
SCHEMBL4472057 0.76 ADRB3 (0.45) ADRB3ADRB1ADRB2BACE1
SCHEMBL4472051 0.76 ADRB3 (0.45) ADRB3ADRB1ADRB2BACE1
SCHEMBL4465920 0.74 GLI1 (0.47) ADRB3ADRB1ADRB2
SCHEMBL4465914 0.74 GLI1 (0.47) ADRB3ADRB1ADRB2
SCHEMBL4463297 0.73 ADRB3 (0.45) 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
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO disclosed