SCHEMBL8303753

SCHEMBL8303753

N=C1NCCN1c1c(Br)cc2c(c1Br)OCC(=O)N2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30

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
SCHEMBL8306912 0.81
SCHEMBL8301734 0.80
SCHEMBL8303055 0.80 DRD2 (0.37) PGRNR3C2
SCHEMBL8301735 0.77 MMP12 (0.38) PDE3BPDE3ANR3C2
SCHEMBL8304016 0.77 PDE3B (0.36) PDE3BPDE3A
SCHEMBL8306454 0.75 MMP12 (0.38) PDE3BPDE3ANR3C2
Bromide SCHEMBL8305153 0.74 MAPT (0.37) NR3C2
SCHEMBL8301776 0.71 PDE3B (0.31) PDE3BPDE3A
SCHEMBL8301874 0.70 DRD2 (0.37) PGRNR3C2
SCHEMBL8301613 0.70

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-0548254-B1 6- OR 7-(IMIDAZOLIDIN-2-YLIDENEAMINO)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN INC (US) 1999-06-02 EP disclosed
EP-0548254-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1993-06-30 EP disclosed
WO-1992004345-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1992-03-19 WO disclosed
US-5091528-A Antiglaucoma, antidiarrhea agents, diuretics, vasoconstrictors ALLERGAN, INC. (US) 1992-02-25 US disclosed