SCHEMBL20054593

SCHEMBL20054593

CN(C)[C@@H](C(=O)N1CCC[C@H]1c1nc2ccc(-c3cnc(-c4cccc(NC(=O)Cc5ccccc5)c4)o3)cc2[nH]1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.41
HCRTR1 O43613 4/20 0.39
HCRTR2 O43614 4/20 0.39
KCNH2 Q12809 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ADK P55263 1/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37

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
SCHEMBL15116749 0.92 PRCP (0.41) PRCPHCRTR1HCRTR2KCNH2CPT2
SCHEMBL20221637 0.92 PRCP (0.40) PRCPHCRTR1HCRTR2HSD17B10ADK
SCHEMBL13258524 0.91 HCRTR1 (0.43) PRCPHCRTR1HCRTR2KCNH2CPT2
SCHEMBL12374125 0.90 HCRTR1 (0.43) PRCPHCRTR1HCRTR2KCNH2
SCHEMBL12799079 0.88 PRCP (0.42) PRCPHCRTR1HCRTR2KCNH2
SCHEMBL2281061 0.87 PRCP (0.41) PRCPHCRTR1HCRTR2KCNH2CPT2
SCHEMBL2779281 0.86 PRCP (0.43) PRCPHCRTR1HCRTR2KCNH2
SCHEMBL15116930 0.86 HCRTR1 (0.43) PRCPHCRTR1HCRTR2KCNH2
SCHEMBL20221586 0.86 HCRTR1 (0.41) PRCPHCRTR1HCRTR2CPT2CPT1A
SCHEMBL16927352 0.85 PRCP (0.42) PRCPHCRTR1HCRTR2KCNH2

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
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed