SCHEMBL8774027

SCHEMBL8774027

Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(Cc3cc(C)ccn3)C2=O)c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.77
CCKAR P32238 5/20 0.72
CYP3A4 P08684 1/20 0.71
MAPT P10636 1/20 0.71
TSHR P16473 1/20 0.71
KCNH2 Q12809 1/20 0.71

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
SCHEMBL8538302 1.00 CCKBR (0.77) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9057111 0.90 CCKBR (0.71) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL8538152 0.90 CCKBR (0.71) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9842623 0.88 CCKBR (0.86) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9422427 0.88 CCKBR (0.75) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL8774011 0.87 CCKBR (0.71) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL8537395 0.87 CCKBR (0.71) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9592887 0.87 CCKBR (1.00) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL8537732 0.87 CCKBR (1.00) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL8774012 0.87 CCKBR (1.00) CCKBRCCKARCYP3A4MAPTTSHR

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