SCHEMBL8775083

SCHEMBL8775083

CC(C)(C)c1ccnc(CN2C(=O)[C@H](N3C(=O)c4ccccc4C3=O)N=C(c3ccccc3F)c3ccccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.42
CCKAR P32238 10/20 0.42
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8775081 1.00 CCKBR (0.42) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8536820 0.88 CCKBR (0.41) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8774096 0.88 CCKBR (0.41) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8774610 0.86 CCKBR (0.44) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8774595 0.86 CCKBR (0.44) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8538174 0.86 CCKBR (0.42) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8538171 0.86 CCKBR (0.42) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8535424 0.85 CCKBR (0.44) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8532891 0.85 ALDH1A1 (0.51) CCKBRCCKARLMNA
SCHEMBL8532893 0.85 ALDH1A1 (0.51) CCKBRCCKARLMNA

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