SCHEMBL6159399

SCHEMBL6159399

O=C(O)CCNC(=O)c1cc(-c2ccccc2)[nH]c1CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.44
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6158289 0.83 P2RX7 (0.41) P2RX7
SCHEMBL6162539 0.82 P2RX7 (0.42) P2RX7KMT2A
SCHEMBL6160424 0.80 HIF1A (0.42) KMT2A
SCHEMBL6160371 0.80 EPHX2 (0.43) P2RX7
SCHEMBL6161163 0.78
SCHEMBL7680232 0.77 CNR2 (0.45) KDM4E
SCHEMBL6160773 0.77 CNR2 (0.48)
SCHEMBL6159237 0.74 FAAH (0.38)
SCHEMBL8120434 0.73 P2RX7 (0.59) P2RX7
SCHEMBL6159589 0.73 ACMSD (0.40) KMT2AKDM4E

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