SCHEMBL8301820

SCHEMBL8301820

Cc1c(N)ccc2c1OCC(=O)N2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.50
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
SMYD3 Q9H7B4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
NR3C2 P08235 2/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
PKM P14618 2/20 0.36

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
SCHEMBL8197651 0.81 MMP12 (0.45) MMP12PARP1ALDH1A1MAPTKDM4E
SCHEMBL8304624 0.81 MMP12 (0.38) MMP12PARP1ALDH1A1MAPTHPGD
SCHEMBL8198141 0.81 MMP12 (0.42) MMP12PARP1PDE3BPDE3ASMYD3
SCHEMBL8189627 0.78 MMP12 (0.42) MMP12PARP1ALDH1A1MAPTKDM4E
SCHEMBL254031 0.77 SMYD3 (0.48) MMP12PARP1ALDH1A1MAPTHPGD
SCHEMBL8307606 0.76 MMP12 (0.41) MMP12PARP1ALDH1A1MAPTRAB9A
SCHEMBL13739639 0.76 SMYD3 (0.40) MMP12PARP1ALDH1A1MAPTHPGD
SCHEMBL6432532 0.76 NR3C2 (0.56) MMP12PARP1ALDH1A1MAPTHPGD
SCHEMBL6428975 0.75 DRD2 (0.42) MMP12ALDH1A1NR3C2DRD2DRD4
SCHEMBL24427465 0.75 MMP12 (0.45) MMP12PARP1MAPTPDE3BPDE3A

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