SCHEMBL12686378

SCHEMBL12686378

Cn1cc(C2(c3n[nH]c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 20/20 0.69
KCNH2 Q12809 20/20 0.69
SSTR1 P30872 2/20 0.59
SSTR5 P35346 2/20 0.59
SSTR4 P31391 1/20 0.59
TACR2 P21452 1/20 0.56
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56

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
SCHEMBL10108750 0.93 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL13286072 0.92 SSTR3 (0.61) SSTR3KCNH2SSTR1SSTR5SSTR4
SCHEMBL901932 0.89 SSTR3 (0.80) SSTR3KCNH2SSTR1SSTR5SSTR4
SCHEMBL13244646 0.87 SSTR3 (0.80) SSTR3KCNH2SSTR1SSTR5SSTR4
SCHEMBL3020005 0.87 SSTR3 (0.80) SSTR3KCNH2SSTR1SSTR5SSTR4
SCHEMBL6890067 0.87 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5SSTR4
SCHEMBL6890516 0.87 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5SSTR4
SCHEMBL13286211 0.86 SSTR3 (0.61) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL9909897 0.85 SSTR3 (0.70) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL13244672 0.85 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5SSTR4

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-2012122075-A1 LACTAM DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-09-13 WO disclosed