SCHEMBL8537732

SCHEMBL8537732

Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)O)C2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 1.00
CCKAR P32238 6/20 0.84
CYP3A4 P08684 1/20 0.82
MAPT P10636 1/20 0.82
TSHR P16473 1/20 0.82

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
SCHEMBL8774012 1.00 CCKBR (1.00) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9091207 0.92 CCKBR (0.85) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9842623 0.92 CCKBR (0.86) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL1574046 0.91 CCKAR (1.00) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL1574328 0.91 CCKAR (1.00) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL1574327 0.91 CCKAR (1.00) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL1574047 0.91 CCKAR (1.00) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9091406 0.91 CCKBR (0.84) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9091045 0.91 CCKBR (0.82) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9091210 0.91 CYP3A4 (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 3 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
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