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Sugi Predict / Compounds / SCHEMBL2440191

SCHEMBL2440191

SCHEMBL2440191

Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(F)(F)C[C@@H]3[C@H]2CNC(=O)Oc2c(C)nc3sccn23)c1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 20/20 0.54
▸ HCRTR2 O43614 13/20 0.54

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
SCHEMBL2446979 0.89 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL496509 0.89 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL2440848 0.88 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL3411649 0.86 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3417071 0.85 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL2445848 0.85 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3416237 0.85 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL3415735 0.84 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL3415973 0.84 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL3415444 0.84 HCRTR1 (0.56) HCRTR1HCRTR2

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-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 — — EP claimed