SCHEMBL3640328

SCHEMBL3640328

O=C(NC[C@@H]1CCCCN1C(=O)c1nc(C2CC2)sc1-c1cccc(Cl)c1)c1cccc2occc12

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.66
HCRTR2 O43614 17/20 0.66

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
SCHEMBL3634093 0.90 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL3637172 0.89 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3638954 0.89 HCRTR1 (0.83) HCRTR1HCRTR2
SCHEMBL3364035 0.88 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3641009 0.86 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL3638128 0.86 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL3048804 0.85 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3048807 0.85 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3007648 0.85 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL3640729 0.84 HCRTR1 (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155739-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-02-24 EP claimed
WO-2008139416-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-11-20 WO claimed
EP-2155739-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-02-24 EP disclosed
WO-2008139416-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-11-20 WO disclosed