SCHEMBL10201223

SCHEMBL10201223

O=C(Nc1ccc(-c2ncc(-c3ccc4nc([C@@H]5CCCN5C(=O)Cc5ccccc5)[nH]c4c3)o2)cc1)[C@@H]1CCCN1C(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.49
HCRTR2 O43614 8/20 0.49
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
PRCP P42785 3/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
USP30 Q70CQ3 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL10201222 0.90 HCRTR1 (0.42) HCRTR1HCRTR2PRCP
SCHEMBL10201558 0.90 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL12404467 0.89 HCRTR1 (0.57) HCRTR1HCRTR2MAPTPOLBPRCP
SCHEMBL2277418 0.88 HCRTR1 (0.51) HCRTR1HCRTR2MAPTPRCP
SCHEMBL2277410 0.88 HCRTR1 (0.51) HCRTR1HCRTR2MAPTPRCP
SCHEMBL10202424 0.87 HCRTR1 (0.45) HCRTR1HCRTR2MAPTPOLBPRCP
SCHEMBL12799075 0.87 PRCP (0.45) HCRTR1HCRTR2PRCPUSP30
SCHEMBL12404479 0.86 HCRTR1 (0.43) HCRTR1HCRTR2MAPTPOLBPRCP
SCHEMBL15896174 0.86 HCRTR1 (0.43) HCRTR1HCRTR2MAPTPOLBPRCP
SCHEMBL10202512 0.86 HCRTR1 (0.40) HCRTR1HCRTR2PRCP

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 3 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
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 WO disclosed