SCHEMBL10341872

SCHEMBL10341872

CCCC(O)c1cc(Br)no1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.45
ADRB1 P08588 6/20 0.45
ADRB3 P13945 5/20 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
SCHEMBL8879834 0.85 ADRB2 (0.44) ADRB2ADRB1ADRB3
SCHEMBL6074317 0.80 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL8129014 0.80 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL6074550 0.77 ADRB2 (0.39) ADRB2ADRB1ADRB3
SCHEMBL9461597 0.75 NOTUM (0.49)
SCHEMBL4538650 0.74 ADRB2 (0.54) ADRB2ADRB1ADRB3
Broxaterol SCHEMBL82745 0.73 ADRB2 (0.46) ADRB2ADRB1ADRB3
Broxaterol SCHEMBL8845005 0.71 ADRB2 (0.45) ADRB2ADRB1ADRB3
SCHEMBL9629631 0.70 CYP1A2 (0.41) ADRB2ADRB1ADRB3
SCHEMBL3466377 0.69 ADRB2 (0.33) ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207955-B1 PROCESS FOR THE PREPARATION OF 3,5-DISUBSTITUTED ISOXAZOLES ZAMBON S.p.A. (IT) 1990-02-07 EP disclosed
US-4772719-A FROM DIHALOFORMALDOXIME AND ALKYNE, CYCLIZATION ZAMBON S.P.A. (IT) 1988-09-20 US disclosed
EP-0207955-A1 PROCESS FOR THE PREPARATION OF 3,5-DISUBSTITUTED ISOXAZOLES. ZAMBON SPA (IT) 1987-01-14 EP disclosed
WO-1986003490-A1 PROCESS FOR THE PREPARATION OF 3,5-DISUBSTITUTED ISOXAZOLES ZAMBON S.P.A. (IT) 1986-06-19 WO disclosed