SCHEMBL3636573

SCHEMBL3636573

O=C(NC[C@@H]1CCCCN1C(=O)c1nc(C2CC2)sc1-c1cccc(C(F)(F)F)c1)c1cccc2c1OCCO2

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.51
HCRTR2 O43614 18/20 0.51
HTR4 Q13639 1/20 0.39

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
SCHEMBL3365559 0.91 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3641629 0.89 HCRTR1 (0.60) HCRTR1HCRTR2HTR4
SCHEMBL3636155 0.88 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3636190 0.86 HCRTR1 (0.48) HCRTR1HCRTR2HTR4
SCHEMBL3637185 0.86 HCRTR1 (0.57) HCRTR1HCRTR2HTR4
SCHEMBL3634093 0.86 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL3641232 0.86 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL3007609 0.84 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3052414 0.84 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3050208 0.84 HCRTR1 (0.44) 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