SCHEMBL3363164

SCHEMBL3363164

Cc1cccc(-c2sc(C3CC3)nc2C(=O)N2CCCC[C@H]2CNC(=O)Oc2cc3occc3n2C)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.47
HCRTR2 O43614 19/20 0.47

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
SCHEMBL3361785 0.93 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3361418 0.93 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3366191 0.89 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL3359842 0.89 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3363311 0.87 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3362213 0.87 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3365769 0.85 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3360561 0.83 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3361909 0.83 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3365182 0.83 HCRTR1 (0.46) 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