SCHEMBL8773950

SCHEMBL8773950

O=C(CN1C(=O)C(N2C(=O)c3ccccc3C2=O)N=C(C2CCCC2)c2ccccc21)N1CC2CCC(CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 7/20 0.42
ALDH1A1 P00352 4/20 0.41
CCKAR P32238 3/20 0.41
HSD17B10 Q99714 2/20 0.41
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BDKRB1 P46663 2/20 0.36
TRPA1 O75762 1/20 0.36
GAA P10253 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
SCHEMBL9058636 0.85 CCKBR (0.44) CCKBRALDH1A1CCKARHSD17B10BDKRB1
SCHEMBL9058638 0.85 CCKBR (0.44) CCKBRALDH1A1CCKARHSD17B10BDKRB1
SCHEMBL8773971 0.85 CCKBR (0.45) CCKBRALDH1A1CCKARBDKRB1TRPA1
SCHEMBL8773965 0.85 CCKBR (0.45) CCKBRALDH1A1CCKARBDKRB1TRPA1
SCHEMBL8774054 0.84 CCKBR (0.44) CCKBRALDH1A1CCKARHSD17B10BDKRB1
SCHEMBL8774043 0.84 CCKBR (0.44) CCKBRALDH1A1CCKARHSD17B10BDKRB1
SCHEMBL9058488 0.79 CCKBR (0.52) CCKBRBDKRB1
SCHEMBL9058490 0.79 CCKBR (0.52) CCKBRBDKRB1
SCHEMBL8537959 0.77 ALDH1A1 (0.48) CCKBRALDH1A1CCKARHSD17B10MEN1
SCHEMBL8537963 0.77 ALDH1A1 (0.48) CCKBRALDH1A1CCKARHSD17B10MEN1

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