SCHEMBL2127704

SCHEMBL2127704

CNc1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CN)c(-c2cccc(Cl)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.39
HCRTR2 O43614 19/20 0.38

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
SCHEMBL2126355 0.92 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL984258 0.89 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2127696 0.87 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL2126945 0.86 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2127897 0.86 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2126055 0.85 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2126212 0.85 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL2128976 0.84 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2127594 0.83 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL982677 0.81 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