SCHEMBL3361276

SCHEMBL3361276

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

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.47
HCRTR2 O43614 16/20 0.47
RORC P51449 4/20 0.40
RORB Q92753 1/20 0.40

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
SCHEMBL3361281 1.00 HCRTR1 (0.47) HCRTR1HCRTR2RORCRORB
SCHEMBL3115887 0.91 HCRTR1 (0.48) HCRTR1HCRTR2RORCRORB
SCHEMBL3115894 0.91 HCRTR1 (0.48) HCRTR1HCRTR2RORCRORB
SCHEMBL3363366 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3363370 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3365568 0.89 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3365572 0.89 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3363382 0.86 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3361884 0.86 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL3361881 0.86 HCRTR1 (0.54) 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-2155739-B1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-10-06 EP disclosed