SCHEMBL5138151

SCHEMBL5138151

O=C(OCc1ccccc1)N1CCC(c2nc(-c3ccnc(C4CC4)n3)c(-c3ccc4nccnc4c3)[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.42
TRPC3 Q13507 2/20 0.41
TRPC7 Q9HCX4 2/20 0.41
PRMT5 O14744 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FAAH O00519 1/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 2/20 0.39
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
TYK2 P29597 3/20 0.38
JAK3 P52333 2/20 0.38
USP30 Q70CQ3 1/20 0.38
CYP2C19 P33261 1/20 0.38
ENPP2 Q13822 1/20 0.38
ATXN2 Q99700 1/20 0.38
HTR2B P41595 1/20 0.37

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
SCHEMBL5151958 0.89 TRPC3 (0.43) GRIN2BTRPC3TRPC7PRMT5SMN1; SMN2
SCHEMBL4337297 0.75 ADORA2A (0.46) JAK2JAK1TYK2
SCHEMBL4025068 0.75 GRIN2B (0.47) GRIN2BTRPC3TRPC7SMN1; SMN2NPC1
SCHEMBL5310764 0.74 TBK1 (0.40) USP30HTR2B
SCHEMBL4338456 0.74 TGFBR1 (0.54) GRIN2BTRPC3TRPC7PRMT5SMN1; SMN2
SCHEMBL4024827 0.73 MAPK14 (0.53) GRIN2BTRPC3TRPC7FAAH
SCHEMBL13810546 0.72 MAPK13 (0.46) GRIN2BTRPC3TRPC7PRMT5SMN1; SMN2
SCHEMBL4343652 0.72 TRPC3 (0.47) GRIN2BTRPC3TRPC7PRMT5SMN1; SMN2
SCHEMBL4348600 0.71 TRPC3 (0.46) GRIN2BTRPC3TRPC7PRMT5SMN1; SMN2
SCHEMBL6172458 0.71 MAPK13 (0.64) GRIN2BTRPC3TRPC7PRMT5SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
EP-1786802-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
WO-2006026306-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC. (US) 2006-03-09 WO claimed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
EP-1786802-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed
WO-2006026306-A1 PYRIMIDINYLIMIDAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC. (US) 2006-03-09 WO disclosed