SCHEMBL13840728

SCHEMBL13840728

CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1cc(O)cc(O)c1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.75
CHRM3 P20309 2/20 0.49
ADRB1 P08588 1/20 0.45

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
SCHEMBL3917030 1.00 ADRB2 (0.75) ADRB2CHRM3ADRB1
SCHEMBL13840802 0.93 ADRB2 (0.66) ADRB2CHRM3ADRB1
SCHEMBL3917076 0.93 ADRB2 (0.66) ADRB2CHRM3ADRB1
SCHEMBL13840817 0.92 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL13840714 0.92 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL3924974 0.92 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL3914436 0.92 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL3921775 0.92 ADRB2 (0.65) ADRB2CHRM3ADRB1
SCHEMBL6506204 0.92 ADRB2 (0.78) ADRB2CHRM3ADRB1
SCHEMBL13840800 0.91 ADRB2 (0.63) ADRB2CHRM3ADRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730141-B1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2009-05-27 EP disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 US disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 US disclosed