SCHEMBL16976851

SCHEMBL16976851

Cn1cc(C2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)cn3N)Cc3c2[nH]c2ccccc32)cn1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 20/20 0.75
KCNH2 Q12809 20/20 0.75
SSTR1 P30872 2/20 0.66
SSTR5 P35346 2/20 0.66
TACR2 P21452 1/20 0.66
PDE4A P27815 1/20 0.66
PDE4B Q07343 1/20 0.66
PDE4C Q08493 1/20 0.66
PDE4D Q08499 1/20 0.66
SSTR4 P31391 1/20 0.55

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
SCHEMBL901932 0.87 SSTR3 (0.80) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL23777544 0.81 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL13244746 0.81 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL9928528 0.81 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL13286216 0.80 SSTR3 (0.71) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL6890516 0.80 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL6890067 0.80 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL9909895 0.80 SSTR3 (0.68) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL12182088 0.77 SSTR3 (0.71) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL12686378 0.76 SSTR3 (0.69) SSTR3KCNH2SSTR1SSTR5TACR2

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
EP-2648517-B1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME (US) 2015-08-05 EP disclosed