SCHEMBL9700069

SCHEMBL9700069

CCCOc1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.55
TGFBR1 P36897 4/20 0.53
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ATM Q13315 1/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 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
SCHEMBL9701112 0.91 PDE10A (0.57) PDE10ATGFBR1CYP3A4CYP2D6ATM
SCHEMBL7381132 0.84 TGFBR1 (0.67) PDE10ATGFBR1CYP3A4ATMRAB9A
SCHEMBL11482604 0.84 MAPT (0.59) PDE10ATGFBR1ATMRAB9ANPC1
SCHEMBL9701135 0.82 PDE10A (0.55) PDE10ATGFBR1CYP3A4ATMRAB9A
SCHEMBL7378261 0.82 PDE10A (0.53) PDE10ATGFBR1CYP3A4ATMRAB9A
SCHEMBL7378452 0.81 PDE10A (0.57) PDE10ATGFBR1CYP3A4ATMRAB9A
SCHEMBL9436323 0.81 TGFBR1 (0.63) PDE10ATGFBR1ATMRAB9ANPC1
SCHEMBL7376921 0.79 PDE10A (0.54) PDE10ATGFBR1CYP3A4ATMRAB9A
SCHEMBL7380371 0.78 PDE10A (0.53) PDE10ATGFBR1CYP3A4ATMRAB9A
SCHEMBL7343693 0.78 TGFBR1 (0.65) PDE10ATGFBR1CYP3A4SMN1; SMN2KDM4E

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 7 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
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 disclosed