SCHEMBL8774096

SCHEMBL8774096

Cc1ccnc(CN2C(=O)C(N3C(=O)c4ccccc4C3=O)N=C(c3ccccc3F)c3ccccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.41
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CCKAR P32238 9/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL8536820 1.00 CCKBR (0.41) CCKBRLMNAPOLBMAPTCCKAR
SCHEMBL8538171 0.89 CCKBR (0.42) CCKBRLMNAPOLBMAPTCCKAR
SCHEMBL8538174 0.89 CCKBR (0.42) CCKBRLMNAPOLBMAPTCCKAR
SCHEMBL8534529 0.88 TP53 (0.48) CCKBRMAPTCCKAR
SCHEMBL8534531 0.88 TP53 (0.48) CCKBRMAPTCCKAR
SCHEMBL8775083 0.88 CCKBR (0.42) CCKBRLMNAPOLBMAPTCCKAR
SCHEMBL8535424 0.88 CCKBR (0.44) CCKBRLMNAPOLBMAPTCCKAR
SCHEMBL8775081 0.88 CCKBR (0.42) CCKBRLMNAPOLBMAPTCCKAR
SCHEMBL8532891 0.87 ALDH1A1 (0.51) CCKBRLMNACCKARPKM
SCHEMBL8532893 0.87 ALDH1A1 (0.51) CCKBRLMNACCKARPKM

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