SCHEMBL11932022

SCHEMBL11932022

CNc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.75
ADRB1 P08588 15/20 0.71
ADRB3 P13945 7/20 0.68
CHRM2 P08172 1/20 0.68

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
SCHEMBL17929041 0.89 ADRB2 (0.74) ADRB2ADRB1ADRB3CHRM2
SCHEMBL17074687 0.87 ADRB2 (0.74) ADRB2ADRB1ADRB3CHRM2
SCHEMBL17074689 0.87 ADRB2 (0.74) ADRB2ADRB1ADRB3CHRM2
SCHEMBL27667798 0.87 ADRB2 (0.82) ADRB2ADRB1ADRB3CHRM2
SCHEMBL775235 0.87 ADRB2 (0.82) ADRB2ADRB1ADRB3CHRM2
SCHEMBL27667945 0.86 ADRB2 (0.76) ADRB2ADRB1ADRB3CHRM2
SCHEMBL3838704 0.86 ADRB2 (0.85) ADRB2ADRB1ADRB3CHRM2
SCHEMBL3844087 0.86 ADRB2 (0.85) ADRB2ADRB1ADRB3CHRM2
SCHEMBL776967 0.86 ADRB2 (0.76) ADRB2ADRB1ADRB3CHRM2
SCHEMBL5708324 0.86 ADRB2 (0.80) ADRB2ADRB1ADRB3CHRM2

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-8242135-B2 Biphenyl derivatives THERAVANCE, INC. (US) 2012-08-14 US disclosed