SCHEMBL13868362

SCHEMBL13868362

O=C(O)CCCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.91
CCKAR P32238 10/20 0.91

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
SCHEMBL3913222 0.95 CCKBR (1.00) CCKBRCCKAR
SCHEMBL3910633 0.91 CCKBR (1.00) CCKBRCCKAR
SCHEMBL3984836 0.91 CCKBR (1.00) CCKBRCCKAR
SCHEMBL3913936 0.89 CCKBR (0.97) CCKBRCCKAR
SCHEMBL4557999 0.87 CCKBR (0.82) CCKBRCCKAR
SCHEMBL3919203 0.86 CCKBR (1.00) CCKBRCCKAR
SCHEMBL3912917 0.86 CCKBR (1.00) CCKBRCCKAR
SCHEMBL5449645 0.86 CCKBR (0.84) CCKBRCCKAR
SCHEMBL3912907 0.85 CCKBR (0.81) CCKBRCCKAR
SCHEMBL3918659 0.85 CCKBR (1.00) 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
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed