SCHEMBL8535222

SCHEMBL8535222

O=C1C(N2C(=O)c3ccccc3C2=O)N=C(c2ccccc2F)c2ccccc2N1Cc1ccc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.39
CCKBR P32239 8/20 0.39
CCKAR P32238 5/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8535225 1.00 PDE10A (0.39) PDE10ACCKBRCCKARHCRTR1HCRTR2
SCHEMBL8533830 0.85 HCRTR1 (0.41) PDE10ACCKBRCCKARHCRTR1HCRTR2
SCHEMBL8533832 0.85 HCRTR1 (0.41) PDE10ACCKBRCCKARHCRTR1HCRTR2
SCHEMBL8532893 0.82 ALDH1A1 (0.51) CCKBRCCKARLMNA
SCHEMBL8532891 0.82 ALDH1A1 (0.51) CCKBRCCKARLMNA
SCHEMBL8535029 0.82 NPC1 (0.41) CCKBRCCKARLMNAMAPT
SCHEMBL8535030 0.82 NPC1 (0.41) CCKBRCCKARLMNAMAPT
SCHEMBL8538044 0.81 CCKBR (0.41) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8538046 0.81 CCKBR (0.41) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8537097 0.80 CCKBR (0.39) CCKBRCCKARLMNAPOLBMAPT

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
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed