SCHEMBL3636155

SCHEMBL3636155

O=C(NC[C@@H]1CCCCN1C(=O)c1nc(C2CC2)sc1-c1cccc(C(F)(F)F)c1)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.51
HCRTR2 O43614 18/20 0.51
DRD4 P21917 1/20 0.42

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
SCHEMBL3641232 0.89 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL3637397 0.89 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3637172 0.89 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3363382 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3636573 0.88 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3642365 0.87 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3641722 0.87 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL3642065 0.86 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3050208 0.85 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 2 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