SCHEMBL8135396

SCHEMBL8135396

Cc1nc2c[n+]([O-])c3ccccc3c2n1CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
CNR2 P34972 1/20 0.44
BRD4 O60885 3/20 0.44
DYRK1A Q13627 1/20 0.42
STING1 Q86WV6 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
IDO1 P14902 2/20 0.41
DRD2 P14416 3/20 0.41
FAAH O00519 1/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL5348805 0.97 CNR2 (0.47) PIM1PIM3CNR2BRD4DYRK1A
SCHEMBL5109147 0.89 BCHE (0.39) PIM1PIM3CNR2BRD4IDO1
SCHEMBL25962881 0.88 TLR7 (0.49) PIM1PIM3CNR2
SCHEMBL1951717 0.87 PIM1 (0.44) PIM1PIM3CNR2DYRK1ASTING1
SCHEMBL5364616 0.85 TLR7 (0.48) PIM1PIM3CNR2DYRK1A
SCHEMBL1952878 0.84 CNR2 (0.44) PIM1PIM3CNR2DYRK1ASTING1
SCHEMBL5346497 0.84 TLR7 (0.48) PIM1PIM3CNR2DYRK1AIDO1
SCHEMBL8136997 0.83 PIM1 (0.44) PIM1PIM3CNR2BRD4DYRK1A
SCHEMBL5118893 0.83 TLR7 (0.41) PIM1PIM3CNR2IDO1
SCHEMBL8127843 0.82 BRD4 (0.48) PIM1PIM3CNR2BRD4DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6069149-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS TERUMO KABUSHIKI KAISHA (JP) 2000-05-30 US disclosed
EP-0894797-A1 NOVEL AMIDE DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF TERUMO KABUSHIKI KAISHA (JP) 1999-02-03 EP disclosed