SCHEMBL12657162

SCHEMBL12657162

COc1ccc(CCC2(NCC(O)c3ccc(O)c4c3CCC(=O)N4)CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 2/20 0.53
ADRB1 P08588 15/20 0.50
ADRB2 P07550 13/20 0.49

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
SCHEMBL1826257 0.85 ADRB1 (0.71) ADRB1ADRB2
SCHEMBL1821840 0.80 ADRB1 (0.74) ADRB1ADRB2
SCHEMBL14341598 0.79 ADRB1 (0.59) ADRB3ADRB1ADRB2
SCHEMBL1822284 0.76 ADRB1 (0.68) ADRB1ADRB2
SCHEMBL1822773 0.75 ADRB1 (0.69) ADRB1ADRB2
SCHEMBL12657165 0.75 ADRB2 (0.49) ADRB3ADRB1ADRB2
SCHEMBL1821529 0.74 ADRB2 (0.71) ADRB1ADRB2
SCHEMBL1823705 0.73 ADRB1 (0.69) ADRB1ADRB2
SCHEMBL14341599 0.71 ADRB2 (0.58) ADRB3ADRB1ADRB2
SCHEMBL1827259 0.71 ADRB3 (0.68) ADRB3

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
EP-1761509-B1 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-05-04 EP disclosed