SCHEMBL2126228

SCHEMBL2126228

Cc1ccc(-c2sc(C)nc2C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CN)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.49
HCRTR2 O43614 19/20 0.49

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
SCHEMBL2128177 0.92 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2126501 0.89 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2126415 0.89 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2127711 0.88 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL984957 0.88 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2127344 0.85 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL11896909 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL984258 0.85 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2126224 0.84 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2127118 0.82 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US claimed
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP claimed
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed