SCHEMBL4778800

SCHEMBL4778800

Ic1cccc(-c2cc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.51
MAPK14 Q16539 2/20 0.51

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
SCHEMBL4793206 0.85 GCGR (0.65) GCGRMAPK14
Piperazine SCHEMBL28060957 0.76 GCGR (0.56) GCGRMAPK14
SCHEMBL28154907 0.75 GCGR (0.61) GCGRMAPK14
SCHEMBL28552564 0.75 GCGR (0.61) GCGRMAPK14
SCHEMBL28542916 0.75 GCGR (0.61) GCGRMAPK14
SCHEMBL28912040 0.75 GCGR (0.82) GCGRMAPK14
SCHEMBL19607480 0.74 BACE1 (0.42)
SCHEMBL8323645 0.73 GCGR (0.64) GCGRMAPK14
SCHEMBL7714897 0.72 BACE1 (0.41)
SCHEMBL28260548 0.72 GCGR (0.52) GCGRMAPK14

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
EP-1889617-A1 Triphenyl modified 5-membered heterocycles and their use as anticancer and antiflammatory agents Freie Universität Berlin (DE) 2008-02-20 EP claimed
EP-1889617-A1 Triphenyl modified 5-membered heterocycles and their use as anticancer and antiflammatory agents Freie Universität Berlin (DE) 2008-02-20 EP disclosed