SCHEMBL2127166

SCHEMBL2127166

NC[C@H]1[C@H]2CC[C@H](C2)N1C(=O)c1nc(C2CC2)sc1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.48
HCRTR2 O43614 16/20 0.48
GRM5 P41594 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 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
SCHEMBL2127833 0.89 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL984110 0.89 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2126543 0.89 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL11896909 0.88 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2126866 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL2127162 0.86 HCRTR1 (0.47) HCRTR1HCRTR2GRM5ALDH1A1GAA
SCHEMBL2127165 0.86 HCRTR1 (0.47) HCRTR1HCRTR2GRM5ALDH1A1GAA
SCHEMBL983575 0.86 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2128179 0.85 HCRTR1 (0.44) HCRTR1HCRTR2UBE2MDCUN1D1
SCHEMBL2126501 0.83 HCRTR1 (0.43) 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 5 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
EP-2247586-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-10 EP disclosed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO disclosed