SCHEMBL9980505

SCHEMBL9980505

N#Cc1[nH]c(C2CCCN2C(=O)O)nc1I

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 7/20 0.36
▸ HCRTR1 O43613 6/20 0.35
▸ HCRTR2 O43614 6/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.34
▸ SCD5 Q86SK9 1/20 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
SCHEMBL12066760 0.83 ALDH1A1 (0.46) USP30
SCHEMBL15367334 0.83 ALDH1A1 (0.46) USP30
SCHEMBL1293417 0.82 HCRTR1 (0.37) PRCPHCRTR1HCRTR2
SCHEMBL13505317 0.82 HCRTR1 (0.37) PRCPHCRTR1HCRTR2
SCHEMBL9980544 0.80 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL9980523 0.77 HCRTR1 (0.39) PRCPHCRTR1HCRTR2
SCHEMBL1914149 0.75 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL29136401 0.72 HCRTR1 (0.38) PRCPHCRTR1HCRTR2
SCHEMBL29136404 0.72 HCRTR1 (0.38) PRCPHCRTR1HCRTR2
SCHEMBL18815238 0.71 OPRD1 (0.40) HCRTR1HCRTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575475-A1 INHIBITORS OF HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2013-04-10 — — EP disclosed
WO-2011150243-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 — — WO disclosed
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