SCHEMBL8538174

SCHEMBL8538174

O=C1[C@H](N2C(=O)c3ccccc3C2=O)N=C(c2ccccc2F)c2ccccc2N1Cc1cc(Cl)ccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.42
CCKAR P32238 10/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
GHSR Q92847 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
SCHEMBL8538171 1.00 CCKBR (0.42) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8536820 0.89 CCKBR (0.41) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8774096 0.89 CCKBR (0.41) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8532891 0.87 ALDH1A1 (0.51) CCKBRCCKARLMNAMEN1ALDH1A1
SCHEMBL8532893 0.87 ALDH1A1 (0.51) CCKBRCCKARLMNAMEN1ALDH1A1
SCHEMBL8775083 0.86 CCKBR (0.42) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8535424 0.86 CCKBR (0.44) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8775081 0.86 CCKBR (0.42) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8536809 0.85 CCKBR (0.44) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8536814 0.85 CCKBR (0.44) 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 1 patent. 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