SCHEMBL13619468

SCHEMBL13619468

CCCNC(=O)c1ccc(CCn2nc(-c3cc(C)cc(C)c3)cc2-c2ccc3cc(OC)ccc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 19/20 0.59
GIPR P48546 9/20 0.49
VIPR2 P41587 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
VIPR1 P32241 1/20 0.49
DUSP2 Q05923 1/20 0.49
NPC1 O15118 1/20 0.45
GLP1R P43220 2/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL675778 0.83 GCGR (0.86) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL16365982 0.70 APP (0.58) CYP1A2NPC1
SCHEMBL2642906 0.70 GCGR (0.61) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL13755866 0.70 GCGR (0.54) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2643409 0.70 GCGR (0.49) GCGRGIPRVIPR2GLP1R
SCHEMBL12847094 0.69 GCGR (0.79) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL12846897 0.68 APP (0.46) GCGRNPC1
SCHEMBL13619215 0.68 GCGR (0.77) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL1926254 0.68 NPC1 (0.69) NPC1
SCHEMBL2251012 0.67 GCGR (0.87) GCGRGIPRVIPR2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009140342-A1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION (US) 2009-11-19 WO disclosed