SCHEMBL8073125

SCHEMBL8073125

Cc1cccc(N(C)C(=O)C2NCCCc3ccccc3N(C(=O)OC(C)(C)C)C2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.36
NR1I3 Q14994 5/20 0.35
POLQ O75417 2/20 0.34
GPR119 Q8TDV5 1/20 0.33
BCHE P06276 1/20 0.33
CDK1 P06493 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 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
SCHEMBL31092792 0.73 OPRL1 (0.41) POLQGPR119
SCHEMBL31092791 0.73 OPRL1 (0.41) POLQGPR119
SCHEMBL8073130 0.71 CCKBR (0.39) CCKBRMEN1KMT2AALDH1A1NR1I3
SCHEMBL31092804 0.69 USP30 (0.39) MEN1KMT2APOLQGPR119
SCHEMBL31098764 0.69 HSP90AA1 (0.42) MEN1KMT2APOLQGPR119
SCHEMBL31098767 0.69 HSP90AA1 (0.42) MEN1KMT2APOLQGPR119
SCHEMBL8073136 0.68 CCKBR (0.65) CCKBR
SCHEMBL31174473 0.67 USP30 (0.43) MEN1KMT2AGPR119
SCHEMBL31098728 0.67 GPR119 (0.39) MEN1KMT2APOLQGPR119
SCHEMBL31098808 0.66 HSD17B1 (0.43) POLQMAPK1

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