SCHEMBL16512920

SCHEMBL16512920

O=C(O)N1C[C@H](c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ncccn2)CC[C@@H]1C1=CC=CCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.49
▸ CHEK2 O96017 1/20 0.31
▸ MAPK13 O15264 1/20 0.30
▸ RAF1 P04049 1/20 0.30
▸ MAPK12 P53778 1/20 0.30
▸ MAPK11 Q15759 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30
▸ SLC6A7 Q99884 2/20 0.30

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
SCHEMBL14840577 0.84 PRCP (0.63) PRCPMAPK13RAF1MAPK12MAPK11
SCHEMBL14849784 0.76 PRCP (0.59) PRCPMAPK13RAF1MAPK12MAPK11
SCHEMBL14849812 0.76 PRCP (0.59) PRCPMAPK13RAF1MAPK12MAPK11
SCHEMBL14849787 0.76 PRCP (0.59) PRCPMAPK13RAF1MAPK12MAPK11
SCHEMBL14849808 0.76 PRCP (0.59) PRCPMAPK13RAF1MAPK12MAPK11
SCHEMBL14840859 0.75 PRCP (0.66) PRCPMAPK11MAPK14SLC6A7
SCHEMBL14840905 0.69 PRCP (0.63) PRCPMAPK13RAF1MAPK12MAPK11
SCHEMBL14849781 0.67 PRCP (1.00) PRCPMAPK13RAF1MAPK12MAPK11
SCHEMBL14849783 0.67 PRCP (1.00) PRCPMAPK13RAF1MAPK12MAPK11
SCHEMBL14849776 0.66 PRCP (0.57) PRCPCHEK2

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-2011156246-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-12-15 — — WO disclosed
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