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SCHEMBL1646609

SCHEMBL1646609

O=C(O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(-c4ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)O)c6ccccc6)nc5c4)cc3)ccc2[nH]1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.53
▸ HCRTR1 O43613 7/20 0.47
▸ HCRTR2 O43614 7/20 0.47
▸ USP30 Q70CQ3 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL16927260 0.99 PRCP (0.53) PRCPHCRTR1HCRTR2
SCHEMBL16927264 0.99 PRCP (0.53) PRCPHCRTR1HCRTR2
SCHEMBL1293628 0.96 PRCP (0.51) PRCPHCRTR1HCRTR2
SCHEMBL20484246 0.96 PRCP (0.51) PRCPHCRTR1HCRTR2
SCHEMBL1293637 0.96 PRCP (0.51) PRCPHCRTR1HCRTR2
SCHEMBL20484192 0.95 PRCP (0.50) PRCPHCRTR1HCRTR2
SCHEMBL1294229 0.95 PRCP (0.50) PRCPHCRTR1HCRTR2
SCHEMBL1294226 0.95 PRCP (0.50) PRCPHCRTR1HCRTR2
SCHEMBL2778296 0.92 PRCP (0.53) PRCPHCRTR1HCRTR2
SCHEMBL2778299 0.92 PRCP (0.53) PRCPHCRTR1HCRTR2

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
WO-2011050146-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed