SCHEMBL13458052

SCHEMBL13458052

Cn1nc(C2(c3noc(CO)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 20/20 0.61
KCNH2 Q12809 20/20 0.61
SSTR1 P30872 2/20 0.59
SSTR5 P35346 2/20 0.59
TACR2 P21452 1/20 0.59
PDE4A P27815 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4C Q08493 1/20 0.59
PDE4D Q08499 1/20 0.59
SSTR4 P31391 1/20 0.52

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
SCHEMBL14241812 0.93 SSTR3 (0.59) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL823850 0.93 SSTR3 (0.59) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL901932 0.86 SSTR3 (0.80) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL9909900 0.86 SSTR3 (0.51) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL13244751 0.86 SSTR3 (0.51) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL13244859 0.85 SSTR3 (0.61) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL9928505 0.84 SSTR3 (0.64) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL13244682 0.84 SSTR3 (0.64) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL23777544 0.84 SSTR3 (0.81) SSTR3KCNH2SSTR1SSTR5TACR2
SCHEMBL9928528 0.84 SSTR3 (0.81) 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
WO-2010025553-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-03-11 WO disclosed