SCHEMBL30480372

SCHEMBL30480372

NC(=O)Nc1cccc(C(F)(F)COCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.72
ADRB3 P13945 19/20 0.72
ADRB1 P08588 18/20 0.72

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
SCHEMBL4240814 1.00 ADRB2 (0.72) ADRB2ADRB3ADRB1
SCHEMBL524162 1.00 ADRB2 (0.72) ADRB2ADRB3ADRB1
SCHEMBL524163 1.00 ADRB2 (0.72) ADRB2ADRB3ADRB1
SCHEMBL12213641 0.92 ADRB2 (0.61) ADRB2ADRB3ADRB1
SCHEMBL11903526 0.87 ADRB2 (0.54) ADRB2ADRB3ADRB1
SCHEMBL11903502 0.87 ADRB2 (0.54) ADRB2ADRB3ADRB1
SCHEMBL11903513 0.87 ADRB2 (0.54) ADRB2ADRB3ADRB1
SCHEMBL30510394 0.86 ADRB2 (0.69) ADRB2ADRB3ADRB1
SCHEMBL185382 0.86 ADRB2 (0.69) ADRB2ADRB3ADRB1
SCHEMBL28335500 0.86 ADRB2 (0.69) ADRB2ADRB3ADRB1

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-4223294-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2023-08-09 EP disclosed
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed