SCHEMBL6159867

SCHEMBL6159867

COC(=O)c1cccc(C=Cc2nc(-c3ccccc3C)n(Cc3ccccc3)c2CCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL6159862 1.00 POLB (0.35) POLBMAPTPDE4APDE4BPDE4C
SCHEMBL7680113 0.88 EPHX2 (0.36) MAPTALDH1A1HPGD
SCHEMBL7680109 0.88 EPHX2 (0.36) MAPTALDH1A1HPGD
SCHEMBL6158523 0.81
SCHEMBL6158526 0.81
SCHEMBL6160960 0.77 P2RX7 (0.36)
SCHEMBL6160412 0.77 CYP19A1 (0.40) KDM4EALDH1A1HPGD
SCHEMBL6161248 0.76
SCHEMBL6163948 0.73
SCHEMBL6163944 0.73

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