SCHEMBL7686851

SCHEMBL7686851

Nc1ccc(CCNCC(O)COc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.78
ADRB1 P08588 16/20 0.78
ADRB2 P07550 8/20 0.78
BCHE P06276 1/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL7115574 1.00 ADRB3 (0.78) ADRB3ADRB1ADRB2BCHEMEN1
SCHEMBL7114734 0.92 ADRB3 (0.66) ADRB3ADRB1ADRB2BCHEMEN1
SCHEMBL7119163 0.91 ADRB3 (0.79) ADRB3ADRB1ADRB2
SCHEMBL7558376 0.90 ADRB3 (0.82) ADRB3ADRB1ADRB2BCHE
SCHEMBL7558367 0.90 ADRB3 (0.82) ADRB3ADRB1ADRB2BCHE
SCHEMBL7111902 0.89 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL7122769 0.89 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL7097357 0.88 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL15275450 0.87 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL27478454 0.85 ADRB1 (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002006258-A1 AZOLIDINES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed