SCHEMBL12184228

SCHEMBL12184228

CNC(=O)N1CC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)CCC1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 8/20 0.56
▸ KIF11 P52732 1/20 0.40
▸ GRM5 P41594 1/20 0.37
▸ SCN4A P35499 1/20 0.36
▸ NT5E P21589 1/20 0.36
▸ SLC6A9 P48067 1/20 0.35
▸ NAMPT P43490 2/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CRACR2A Q9BSW2 1/20 0.34

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
SCHEMBL12184137 1.00 PRCP (0.56) PRCPKIF11GRM5SCN4ANT5E
SCHEMBL14749294 0.92 PRCP (0.47) PRCPGRM5NTRK1KDM4EALDH1A1
SCHEMBL14737395 0.90 PRCP (0.56) PRCPGRM5NT5ESLC6A9NAMPT
SCHEMBL14736813 0.90 PRCP (0.56) PRCPGRM5NT5ESLC6A9NAMPT
SCHEMBL12183916 0.90 PRCP (0.58) PRCPGRM5NT5ESLC6A9NAMPT
SCHEMBL14749314 0.90 PRCP (0.58) PRCPGRM5NT5ESLC6A9NAMPT
SCHEMBL12184583 0.85 PRCP (0.52) PRCPNT5E
SCHEMBL14752639 0.83 PRCP (0.52) PRCPGRM5ALDH1A1
SCHEMBL14737070 0.82 PRCP (0.54) PRCPGRM5NTRK1KDM4E
SCHEMBL14749284 0.81 PRCP (0.49) PRCPGRM5NTRK1KDM4EALDH1A1

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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