SCHEMBL8301776

SCHEMBL8301776

CN1C(=O)COc2cc(Br)c(N3CCNC3=N)c(Br)c21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL8304016 0.83 PDE3B (0.36) PDE3BPDE3A
SCHEMBL8301723 0.81 PDE3B (0.35) PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL8306110 0.80 PDE3B (0.38) PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL8306154 0.80
SCHEMBL8303554 0.78 PDE3B (0.38) PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL8306912 0.78
Bromide SCHEMBL8301839 0.77 PDE3B (0.38) PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL8303917 0.72
SCHEMBL8306967 0.71 PDE3B (0.34) PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL8303858 0.71 CYP11B2 (0.47) PDE3BPDE3ACYP11B1CYP11B2

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