SCHEMBL12184727

SCHEMBL12184727

Fc1ccc(-c2cc(C3CCC(c4ccccc4)NC3)n(-c3ncccn3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 11/20 0.54
▸ PLAT P00750 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NAMPT P43490 2/20 0.33

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
SCHEMBL14749308 1.00 PRCP (0.54) PRCPPLATL3MBTL1NPC1CYP1A2
SCHEMBL12184580 0.91 PRCP (0.56) PRCPL3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL2598787 0.91 PRCP (0.56) PRCPL3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL14749291 0.90 PRCP (0.46) PRCPL3MBTL1NPC1CYP1A2CYP3A4
SCHEMBL14737307 0.84 PRCP (0.56) PRCP
SCHEMBL12183895 0.84 PRCP (0.56) PRCP
SCHEMBL2599453 0.79 PRCP (0.51) PRCPPLATKCNH2
SCHEMBL14686475 0.78 PRCP (0.56) PRCPPLAT
SCHEMBL12184145 0.78 PRCP (0.52) PRCPPLAT
SCHEMBL14737395 0.77 PRCP (0.56) PRCPL3MBTL1NPC1CYP1A2CYP3A4

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-2011146354-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-24 — — WO disclosed
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