SCHEMBL8775098

SCHEMBL8775098

Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3F)c3ccccc3N(CCC3OCCO3)C2=O)c1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.69
CCKAR P32238 4/20 0.58
KCNH2 Q12809 1/20 0.57

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
SCHEMBL8534742 1.00 CCKBR (0.69) CCKBRCCKARKCNH2
SCHEMBL8775123 0.85 CCKBR (0.68) CCKBRCCKAR
SCHEMBL8533471 0.85 CCKBR (0.68) CCKBRCCKAR
SCHEMBL8534720 0.85 CCKBR (0.82) CCKBRCCKAR
SCHEMBL8774345 0.85 CCKBR (0.82) CCKBRCCKAR
SCHEMBL8774271 0.83 CCKBR (0.69) CCKBRCCKAR
SCHEMBL8538176 0.83 CCKBR (0.69) CCKBRCCKAR
SCHEMBL8538152 0.83 CCKBR (0.71) CCKBRCCKAR
SCHEMBL8533798 0.83 CCKBR (0.78) CCKBRCCKAR
SCHEMBL9057111 0.83 CCKBR (0.71) 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
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed