SCHEMBL2447697

SCHEMBL2447697

NC[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.57
HCRTR2 O43614 14/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41

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
SCHEMBL15175749 0.98 HCRTR1 (0.59) HCRTR1HCRTR2TSHRRECQLSCN1A
SCHEMBL2448801 0.92 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2445627 0.88 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3415643 0.87 HCRTR1 (0.46) HCRTR1HCRTR2TSHRRECQL
SCHEMBL2930541 0.87 HCRTR1 (0.46) HCRTR1HCRTR2TSHRRECQL
SCHEMBL15174295 0.86 HCRTR1 (0.59) HCRTR1HCRTR2TSHRRECQLSCN1A
SCHEMBL2444050 0.86 HCRTR1 (0.47) HCRTR1HCRTR2TSHR
SCHEMBL2447671 0.82 HCRTR1 (0.48) HCRTR1HCRTR2TSHRRECQL
SCHEMBL2447675 0.82 HCRTR1 (0.48) HCRTR1HCRTR2TSHRRECQL
SCHEMBL2450567 0.82 HCRTR1 (0.42) HCRTR1HCRTR2TSHRRECQLSCN1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 EP claimed