SCHEMBL5164807

SCHEMBL5164807

C[N+](C)(CCc1cc(F)c(F)c(F)c1)CC(O)c1cc(O)cc2c1OCC(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.56
ADRB1 P08588 9/20 0.51

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
SCHEMBL5165194 0.92 ADRB2 (0.65) ADRB2ADRB1
SCHEMBL3634485 0.91 ADRB2 (0.55) ADRB2ADRB1
Hydrochloric Acid SCHEMBL4593598 0.91 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL5189286 0.89 ADRB2 (0.55) ADRB2ADRB1
SCHEMBL5165092 0.88 ADRB2 (0.53) ADRB2ADRB1
Hydrochloric Acid SCHEMBL5582900 0.88 ADRB2 (0.68) ADRB2ADRB1
SCHEMBL5191034 0.88 ADRB2 (0.54) ADRB2ADRB1
SCHEMBL4283475 0.87 ADRB2 (0.63) ADRB2ADRB1
SCHEMBL5190937 0.87 ADRB2 (0.54) ADRB2ADRB1
SCHEMBL5163804 0.87 ADRB2 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765355-A1 BENZOXAZINE FOR TREATING RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-28 EP disclosed
WO-2005102350-A1 BENZOXAZINE FOR TREATING RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed