SCHEMBL8533798

SCHEMBL8533798

CCOC(=O)CN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccc2F)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.78
CCKAR P32238 7/20 0.67
CYP3A4 P08684 1/20 0.63
MAPT P10636 1/20 0.63
TSHR P16473 1/20 0.63

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
SCHEMBL8533593 0.90 CCKBR (0.82) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL8773990 0.90 CCKBR (0.82) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL8774345 0.90 CCKBR (0.82) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL8534720 0.90 CCKBR (0.82) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9865781 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8774141 0.84 CCKBR (0.81) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL8774151 0.84 CCKBR (0.81) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9057854 0.84 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8774046 0.84 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9057111 0.84 CCKBR (0.71) 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
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed