SCHEMBL3638516

SCHEMBL3638516

Cc1nc2sccn2c1C(=O)NC[C@@H]1CCCCN1C(=O)c1nc(C2CC2)sc1-c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.50
HCRTR2 O43614 15/20 0.50
TSPO P30536 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45

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
SCHEMBL3640489 0.89 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3363005 0.88 HCRTR1 (0.43) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3640876 0.87 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL3638696 0.87 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1398709 0.87 HCRTR1 (0.65) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1398720 0.87 HCRTR1 (0.65) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1398735 0.87 HCRTR1 (0.65) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3639860 0.86 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3635222 0.86 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3014848 0.86 HCRTR1 (0.53) HCRTR1HCRTR2TSPOOPRK1HTR2B

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