SCHEMBL3363390

SCHEMBL3363390

Cn1nc(OC(=O)NC[C@@H]2CCCN2C(=O)c2nc(C3CC3)sc2-c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.46
HCRTR2 O43614 15/20 0.46

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
SCHEMBL3361629 0.98 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3363250 0.92 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL3365270 0.92 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL3362052 0.89 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL3360885 0.87 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3365184 0.87 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3365648 0.86 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3361112 0.85 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3364134 0.85 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3362079 0.85 HCRTR1 (0.50) 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 claimed