SCHEMBL3362271

SCHEMBL3362271

O=C(NC[C@@H]1CCCCN1C(=O)c1nc(C2CC2)sc1-c1cccc(C(F)(F)F)c1)Oc1noc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.42
HCRTR2 O43614 18/20 0.42
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL3363447 0.91 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3359829 0.90 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3360570 0.90 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL3642365 0.89 HCRTR1 (0.47) HCRTR1HCRTR2HRH3
SCHEMBL3363382 0.87 HCRTR1 (0.44) HCRTR1HCRTR2HRH3
SCHEMBL3362355 0.87 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL3362079 0.86 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL3364110 0.86 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3365580 0.84 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL3361281 0.83 HCRTR1 (0.47) 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