SCHEMBL8564378

SCHEMBL8564378

COc1ccc(NC(=O)N(CCN(C)C)C2C(=O)Nc3ccccc3N(CCC(C)C)C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.41
TP53 P04637 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
UBE2M P61081 2/20 0.40
DCUN1D1 Q96GG9 2/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
CACNA1S Q13698 2/20 0.39
ABCB11 O95342 2/20 0.39
LMNA P02545 2/20 0.39
KCNH2 Q12809 2/20 0.39
SLC22A1 O15245 1/20 0.39
CACNA1F O60840 1/20 0.39
ABCB1 P08183 1/20 0.39
HRH2 P25021 1/20 0.39
ADRA1A P35348 1/20 0.39
SCN1A P35498 1/20 0.39
SCN4A P35499 1/20 0.39

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
SCHEMBL8558028 0.92 CCKBR (0.49) CCKBR
SCHEMBL8564471 0.79 CCKBR (0.63) CCKBR
SCHEMBL8648018 0.74 CCKBR (0.70) CCKBR
SCHEMBL8562206 0.73 CCKBR (0.44) CCKBR
SCHEMBL8559660 0.69 CCKBR (0.77) CCKBR
SCHEMBL8557103 0.66 CCKBR (0.44) CCKBRALDH1A1
SCHEMBL8651647 0.64 CCKBR (0.85) CCKBR
SCHEMBL8563195 0.64 CCKBR (0.84) CCKBR
SCHEMBL8563276 0.63 CCKBR (0.50) CCKBR
SCHEMBL8563090 0.63 CCKBR (0.65) CCKBR

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-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US claimed
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US disclosed