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SCHEMBL13258504

SCHEMBL13258504

C[C@H]1CC[C@@H](c2nc3ccc4cc(C#Cc5ccc6nc([C@@H]7CCCN7C(=O)OC(C)(C)C)[nH]c6c5)ccc4c3[nH]2)N1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 17/20 0.39
▸ HCRTR2 O43614 17/20 0.39
▸ CHEK2 O96017 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
SCHEMBL10202464 0.94 GABRA1 (0.37) HCRTR1HCRTR2CHEK2
SCHEMBL12373673 0.94 GABRA1 (0.37) HCRTR1HCRTR2CHEK2
SCHEMBL10201174 0.93 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2
SCHEMBL10201186 0.87 — —
SCHEMBL12373606 0.84 GABRA5 (0.38) —
SCHEMBL10202473 0.84 PTGES (0.40) HCRTR1HCRTR2
SCHEMBL19488784 0.84 UCHL1 (0.41) HCRTR1HCRTR2CHEK2
SCHEMBL12403367 0.83 CHEK2 (0.38) HCRTR1HCRTR2CHEK2
SCHEMBL12373604 0.83 GABRG2 (0.35) CHEK2
SCHEMBL13087697 0.83 GABRA1 (0.33) —

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-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
EP-2398794-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 — — EP disclosed
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 — — WO disclosed