SCHEMBL3409710

SCHEMBL3409710

NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccccc1-c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.48
HCRTR2 O43614 20/20 0.48

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
SCHEMBL3409706 0.83 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2930541 0.82 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3415643 0.82 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2927639 0.81 PARP1 (0.35) HCRTR1HCRTR2
SCHEMBL3415880 0.81 CDK4 (0.36) HCRTR1HCRTR2
SCHEMBL2925299 0.81 CDK4 (0.36) HCRTR1HCRTR2
SCHEMBL2925184 0.80 POLB (0.49) HCRTR1HCRTR2
SCHEMBL3412075 0.80 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL2930336 0.80 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL2925288 0.80 HCRTR1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP claimed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP disclosed