SCHEMBL8073130

SCHEMBL8073130

Cc1cccc(N(CC(=O)OC(C)(C)C)C(=O)N2C(=O)CNCCCc3ccccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NR1I3 Q14994 5/20 0.35
TP53 P04637 1/20 0.35
AVPR2 P30518 1/20 0.34
HTT P42858 1/20 0.33
ADAMTS4 O75173 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8057095 0.73 MAPT (0.47) CCKBRMAPT
SCHEMBL8073125 0.71 CCKBR (0.38) CCKBRMEN1KMT2AALDH1A1NR1I3
SCHEMBL13000655 0.67 RAB9A (0.40) MEN1KMT2AALDH1A1TP53HTT
SCHEMBL9138625 0.67 RAB9A (0.43) MEN1KMT2AALDH1A1TP53HTT
SCHEMBL9135784 0.66 LMNA (0.47) MEN1KMT2AALDH1A1TP53HTT
SCHEMBL13000610 0.64 RAB9A (0.47) MEN1KMT2AALDH1A1TP53HTT
SCHEMBL8073136 0.63 CCKBR (0.65) CCKBR
SCHEMBL13000657 0.62 RAB9A (0.43) MEN1KMT2AALDH1A1TP53HTT
SCHEMBL13000509 0.62 RAB9A (0.39) MEN1KMT2AALDH1A1TP53HTT
SCHEMBL29035758 0.62 POLB (0.54) CCKBRMEN1KMT2AMAPT

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-6057311-A TREATING EATING DISORDERS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-02 US disclosed
WO-1997032860-A1 BENZODIAZONINE DERIVATIVES BINDING TO CHOLECYSTOKININ OR GASTRIN RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 1997-09-12 WO disclosed