SCHEMBL1572367

SCHEMBL1572367

NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1nc(C2CC2)sc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.42
HCRTR2 O43614 17/20 0.42
KCNN4 O15554 2/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL1572369 1.00 HCRTR1 (0.42) HCRTR1HCRTR2KCNN4JAK2
SCHEMBL13254774 0.93 HCRTR1 (0.41) HCRTR1HCRTR2KCNN4
SCHEMBL1572094 0.88 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL1572096 0.88 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL1572372 0.87 HCRTR1 (0.43) HCRTR1HCRTR2KCNN4
SCHEMBL1572053 0.86 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1572051 0.86 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1572710 0.82 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1572709 0.82 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL13254759 0.82 HCRTR1 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US claimed
EP-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 EP claimed
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed