SCHEMBL9701112

SCHEMBL9701112

CCOc1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.57
TGFBR1 P36897 5/20 0.55
MAPT P10636 5/20 0.53
ATM Q13315 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL11482604 0.94 MAPT (0.59) PDE10ATGFBR1MAPTATMNPC1
SCHEMBL9700069 0.91 PDE10A (0.55) PDE10ATGFBR1MAPTATMNPC1
SCHEMBL7381132 0.86 TGFBR1 (0.67) PDE10ATGFBR1MAPTATMNPC1
SCHEMBL9701135 0.84 PDE10A (0.55) PDE10ATGFBR1MAPTATMNPC1
SCHEMBL7378452 0.83 PDE10A (0.57) PDE10ATGFBR1MAPTATMNPC1
SCHEMBL9436323 0.83 TGFBR1 (0.63) PDE10ATGFBR1MAPTATMNPC1
SCHEMBL7376921 0.81 PDE10A (0.54) PDE10ATGFBR1ATMNPC1RAB9A
SCHEMBL7380371 0.80 PDE10A (0.53) PDE10ATGFBR1ATMNPC1RAB9A
SCHEMBL9199906 0.80 PDE10A (0.57) PDE10ATGFBR1ATMNPC1RAB9A
SCHEMBL9297972 0.80 PDE10A (0.57) PDE10ATGFBR1ATMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306300-A2 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-03-08 EP claimed
US-5145858-A Antiinflammatory SMITHKLINE BEECHAM CORP. (US) 1992-09-08 US disclosed
EP-0411754-A2 Medicament for the inhibition of interleukin-1 or tumor necrosis factor production by monocytes and/or macrophages SMITHKLINE BEECHAM CORPORATION (US) 1991-02-06 EP disclosed
WO-1991000092-A1 INHIBITION OF INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR PRODUCTION BY MONOCYTES AND/OR MACROPHAGES SMITHKLINE BEECHAM CORPORATION (US) 1991-01-10 WO disclosed
WO-1990003789-A1 PYRROLO[1,2-a]IMIDAZOLE AND IMIDAZO[1,2-a]PYRIDINE DERIVATIVES AND THEIR USE AS 5-LYPOXYGENASE PATHWAY INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-04-19 WO disclosed
EP-0364204-A1 Pyrrolo[1,2-a]imidazole and imidazo[1,2-a]pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-04-18 EP disclosed