SCHEMBL5803563

SCHEMBL5803563

CN1C(=O)C(NC(=O)C2(N)CCC2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.69
PSEN2 P49810 8/20 0.69
APH1B Q8WW43 8/20 0.69
NCSTN Q92542 8/20 0.69
APH1A Q96BI3 8/20 0.69
PSENEN Q9NZ42 8/20 0.69
CCKBR P32239 9/20 0.66
CCKAR P32238 3/20 0.66

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
SCHEMBL13502675 0.91 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13869423 0.89 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5803561 0.88 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13502674 0.88 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7492908 0.84 SCN9A (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2927644 0.82 CCKBR (0.78) CCKBRCCKAR
SCHEMBL7207460 0.82 CCKBR (0.78) CCKBRCCKAR
SCHEMBL6910028 0.80 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6045062 0.80 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7213169 0.79 CCKBR (0.85) CCKBRCCKAR

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
WO-2006071775-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-07-06 WO claimed
WO-2006071775-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-07-06 WO disclosed