SCHEMBL10201222

SCHEMBL10201222

O=C(Nc1ccc(-c2ncc(-c3ccc4nc([C@@H]5CCCN5C(=O)Cc5ccccc5)[nH]c4c3)o2)cc1F)[C@@H]1CCCN1C(=O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.42
HCRTR2 O43614 14/20 0.42
PRCP P42785 3/20 0.41
MLLT1 Q03111 1/20 0.38
CPT1A P50416 1/20 0.38

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
SCHEMBL10201558 0.91 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL10201223 0.90 HCRTR1 (0.49) HCRTR1HCRTR2PRCP
SCHEMBL15895359 0.87 PRCP (0.43) HCRTR1HCRTR2PRCPMLLT1
SCHEMBL12406168 0.87 PRCP (0.43) HCRTR1HCRTR2PRCPMLLT1
SCHEMBL10202511 0.87 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL10202512 0.87 HCRTR1 (0.40) HCRTR1HCRTR2PRCP
SCHEMBL12799075 0.85 PRCP (0.45) HCRTR1HCRTR2PRCP
SCHEMBL15896173 0.85 PRCP (0.41) HCRTR1HCRTR2PRCPMLLT1
SCHEMBL12406279 0.85 PRCP (0.41) HCRTR1HCRTR2PRCPMLLT1
SCHEMBL2277418 0.84 HCRTR1 (0.51) HCRTR1HCRTR2PRCPCPT1A

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-2398794-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 EP disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed