SCHEMBL7953479

SCHEMBL7953479

O=C(Nc1c(Cl)cncc1Cl)c1cn(C2CCN(C(=O)OCc3ccccc3)C2)c2ncccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.53
KCNH2 Q12809 3/20 0.53
GRIN2B Q13224 7/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP3A4 P08684 3/20 0.41
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
USP30 Q70CQ3 1/20 0.38
EGFR P00533 1/20 0.38
P2RX7 Q99572 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7953478 1.00 PDE4A (0.53) PDE4AKCNH2GRIN2BCYP2D6CYP2C9
SCHEMBL7960495 0.95 PDE4A (0.54) PDE4AKCNH2GRIN2BCYP2D6CYP2C9
SCHEMBL7955386 0.94 PDE4A (0.44) PDE4AKCNH2GRIN2BCYP2D6CYP2C9
SCHEMBL7955384 0.94 PDE4A (0.44) PDE4AKCNH2GRIN2BCYP2D6CYP2C9
SCHEMBL7960332 0.88 PDE4A (0.56) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7960156 0.88 PDE4A (0.56) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7960159 0.88 PDE4A (0.56) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7953933 0.87 PDE4A (0.53) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7963060 0.86 PDE4A (0.55) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7954726 0.86 GRIN2B (0.46) GRIN2BCYP2D6CYP2C9CYP3A4NPC1

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-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed
EP-0978516-A1 1-CYCLOALKYL-1,8-NAPHTHYRIDIN-4-ONE DERIVATIVES WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SUNTORY LIMITED (JP) 2000-02-09 EP disclosed