SCHEMBL17074686

SCHEMBL17074686

O=c1ccc2c([C@@H](O)CNCc3cc[c]cc3)ccc(O)c2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.62
ADRB1 P08588 16/20 0.61

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
SCHEMBL17074688 1.00 ADRB2 (0.62) ADRB2ADRB1
SCHEMBL17074669 0.89 ADRB2 (0.70) ADRB2ADRB1
SCHEMBL17074668 0.89 ADRB2 (0.70) ADRB2ADRB1
SCHEMBL741704 0.88 ADRB2 (0.76) ADRB2ADRB1
SCHEMBL13897351 0.86 ADRB2 (0.76) ADRB2ADRB1
SCHEMBL17074665 0.86 ADRB2 (0.64) ADRB2ADRB1
SCHEMBL19971019 0.86 ADRB2 (0.64) ADRB2ADRB1
SCHEMBL17074667 0.86 ADRB2 (0.64) ADRB2ADRB1
SCHEMBL19770222 0.84 ADRB2 (0.61) ADRB2ADRB1
SCHEMBL19971024 0.84 ADRB2 (0.60) ADRB2ADRB1

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-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP claimed