SCHEMBL6161036

SCHEMBL6161036

COC(=O)c1cc(N)ccc1N(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.57
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 7/20 0.45
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 3/20 0.45
GLA P06280 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
CFTR P13569 2/20 0.44
ABL1 P00519 1/20 0.44
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40

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
SCHEMBL20683121 0.83 KMT2A (0.64) GAAALOX5ALDH1A1MAPTKDM4E
SCHEMBL122553 0.81 KDM4E (0.54) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL5311696 0.81 CA1 (0.62) GAAALDH1A1MAPTTSHRKMT2A
SCHEMBL3883820 0.80 ALDH1A1 (0.56) GAAALOX5ALDH1A1MAPTKDM4E
SCHEMBL29793691 0.80 MAPT (0.46) GAAALOX5ALDH1A1MAPTKDM4E
SCHEMBL15490163 0.80 MAPT (0.46) GAAALOX5ALDH1A1MAPTKDM4E
SCHEMBL30989218 0.80 ALDH1A1 (0.56) GAAALOX5ALDH1A1MAPTKDM4E
SCHEMBL1403643 0.80 GAA (0.72) GAAALOX5ALDH1A1MAPTKDM4E
SCHEMBL4362314 0.79 ABL1 (0.56) GAAALDH1A1MAPTKDM4EABL1
SCHEMBL2299404 0.79 ALOX5 (0.45) GAAALOX5ALDH1A1MAPTKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed