SCHEMBL3402866

SCHEMBL3402866

[CH2][C@H]1N(C(=O)c2nc(N(C)C)sc2-c2ccc(F)cc2)[C@H]2CC[C@@]1(C(N)=O)C2

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.38
HCRTR2 O43614 17/20 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
SCHEMBL3401901 0.91 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL3396542 0.91 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL3398589 0.89 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL3399565 0.88 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL3403072 0.84 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL3396570 0.77 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL3400293 0.76 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2127482 0.75 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2126481 0.75 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2127485 0.73 HCRTR1 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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