SCHEMBL3640729

SCHEMBL3640729

O=C(NC[C@@H]1CCCCN1C(=O)c1nc(C2CC2)sc1-c1cccc(Cl)c1)c1cccc2cccnc12

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.65
HCRTR2 O43614 18/20 0.65

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
SCHEMBL3635749 0.92 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL3639069 0.91 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL3641232 0.89 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL3637172 0.89 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3640253 0.88 HCRTR1 (0.82) HCRTR1HCRTR2
SCHEMBL3362250 0.88 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3048807 0.86 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3048804 0.86 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3641541 0.86 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL3637555 0.86 HCRTR1 (0.78) 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