SCHEMBL675778

SCHEMBL675778

COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3CCc3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 0.86
GIPR P48546 13/20 0.71
VIPR2 P41587 3/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2C8 P10632 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2B6 P20813 1/20 0.71
VIPR1 P32241 1/20 0.71
DUSP2 Q05923 1/20 0.71
GLP1R P43220 1/20 0.62
KCNH2 Q12809 1/20 0.62

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
SCHEMBL12847094 0.86 GCGR (0.79) GCGRGIPRVIPR2CYP3A4CYP2C8
SCHEMBL2251012 0.86 GCGR (0.87) GCGRGIPRVIPR2CYP3A4CYP2C8
SCHEMBL13619215 0.85 GCGR (0.77) GCGRGIPRVIPR2CYP3A4CYP2C8
SCHEMBL9071632 0.84 GCGR (0.84) GCGRGIPRVIPR2CYP3A4CYP2C8
Mk-0893 SCHEMBL675777 0.83 GCGR (1.00) GCGRGIPRVIPR2CYP3A4CYP2C8
Mk-0893 SCHEMBL2355321 0.83 GCGR (1.00) GCGRGIPRVIPR2CYP3A4CYP2C8
Mk-0893 SCHEMBL29363684 0.83 GCGR (1.00) GCGRGIPRVIPR2CYP3A4CYP2C8
SCHEMBL9071560 0.83 GCGR (0.82) GCGRGIPRVIPR2CYP3A4CYP2C8
SCHEMBL13619468 0.83 GCGR (0.59) GCGRGIPRVIPR2CYP3A4CYP2C8
SCHEMBL9071080 0.82 GCGR (1.00) GCGRGIPRCYP3A4CYP2C8CYP2C9

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-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed