SCHEMBL8774034

SCHEMBL8774034

Cc1cccc(N(C(N)=O)C2N=C(c3ccccc3F)c3ccccc3N(Cc3ccc4oc(=O)ccc4c3)C2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.38
DRD4 P21917 3/20 0.38
DRD2 P14416 2/20 0.37
MAOB P27338 2/20 0.36
CCKAR P32238 7/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
BDKRB2 P30411 3/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL8774572 0.81 CCKBR (0.48) CCKBRCCKAR
SCHEMBL8774581 0.81 CCKBR (0.48) CCKBRCCKAR
SCHEMBL8534606 0.79 DRD4 (0.42) CCKBRDRD4DRD2MAOBCCKAR
SCHEMBL8534607 0.79 DRD4 (0.42) CCKBRDRD4DRD2MAOBCCKAR
SCHEMBL9056441 0.79 CCKBR (0.63) CCKBRCCKARMAPT
SCHEMBL8533535 0.79 CCKBR (0.63) CCKBRCCKARMAPT
SCHEMBL8774381 0.78 CCKBR (0.54) CCKBRCCKARMAPT
SCHEMBL8774318 0.78 CCKBR (0.40) CCKBRCCKAR
SCHEMBL8774308 0.78 CCKBR (0.40) CCKBRCCKAR
SCHEMBL8537694 0.76 DRD4 (0.40) CCKBRDRD4DRD2MAOBCCKAR

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