SCHEMBL3365422

SCHEMBL3365422

Cc1cccc(-c2sc(C3CC3)nc2C(=O)N2CCCC[C@H]2CNC(=O)Oc2c(C)nc3sccn23)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.55
HCRTR2 O43614 20/20 0.55

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
SCHEMBL3362981 0.93 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3362191 0.92 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3359733 0.92 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3396097 0.89 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3360912 0.89 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3640876 0.88 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL3363005 0.88 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL3360858 0.87 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3363366 0.83 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3363370 0.83 HCRTR1 (0.51) 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