SCHEMBL2127144

SCHEMBL2127144

CCN(CC)c1nc(C(=O)N2[C@H]3CC[C@H](C3)[C@@H]2CN)c(-c2ccccc2F)s1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.44
HCRTR2 O43614 19/20 0.44
TSPO P30536 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL2127088 0.91 HCRTR1 (0.45) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2127140 0.88 HCRTR1 (0.44) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2125951 0.86 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2128179 0.84 HCRTR1 (0.44) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2126212 0.83 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL2128117 0.82 HCRTR1 (0.43) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL984308 0.80 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL982926 0.78 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL2126406 0.78 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL2127083 0.78 HCRTR1 (0.44) HCRTR1HCRTR2TSPOOPRK1HTR2B

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 7 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
EP-2247586-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-10 EP claimed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO 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