SCHEMBL8538044

SCHEMBL8538044

O=C1C(N2C(=O)c3ccccc3C2=O)N=C(c2ccccc2F)c2ccccc2N1Cc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.41
CCKAR P32238 7/20 0.41
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CHRM5 P08912 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8538046 1.00 CCKBR (0.41) CCKBRCCKARADRA1DADRA1AADRA1B
SCHEMBL8537837 0.89 KDM4E (0.42) CCKBRLMNA
SCHEMBL8537840 0.89 KDM4E (0.42) CCKBRLMNA
SCHEMBL8532891 0.85 ALDH1A1 (0.51) CCKBRCCKARLMNA
SCHEMBL8532893 0.85 ALDH1A1 (0.51) CCKBRCCKARLMNA
SCHEMBL8535418 0.85 CCKBR (0.47) CCKBRCCKAR
SCHEMBL8535416 0.85 CCKBR (0.47) CCKBRCCKAR
SCHEMBL8538016 0.84 CCKBR (0.43) CCKBRCCKAR
SCHEMBL8538017 0.84 CCKBR (0.43) CCKBRCCKAR
SCHEMBL8538174 0.83 CCKBR (0.42) 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
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed