SCHEMBL8306003

SCHEMBL8306003

Cc1cc2c(c(C)c1N1CCNC1=N)NC(=O)CO2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.38
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
MMP12 P39900 1/20 0.35
DRD2 P14416 6/20 0.34
DRD4 P21917 6/20 0.34
DRD3 P35462 4/20 0.34
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 2/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL8304203 0.80 ADRA2A (0.34) MAPTGAA
SCHEMBL8305470 0.80 NR3C2 (0.44) NR3C2MMP12DRD2DRD4DRD3
SCHEMBL8306912 0.79
SCHEMBL8301836 0.78 PARP1 (0.36) NR3C2MMP12DRD2DRD4DRD3
SCHEMBL8302741 0.77 TP53 (0.46) NR3C2TP53MAPTTHRBMMP12
SCHEMBL8306997 0.76 PARP1 (0.32) DRD2DRD4DRD3
SCHEMBL8303991 0.75 MAPT (0.48) NR3C2TP53MAPTTHRBMMP12
SCHEMBL8306241 0.73 NR3C2 (0.48) NR3C2TP53MAPTTHRBMMP12
SCHEMBL8308168 0.70 DRD2 (0.37) NR3C2MMP12DRD2DRD4DRD3
SCHEMBL8301738 0.70 PARP1 (0.39) NR3C2MMP12DRD2DRD4DRD3

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