SCHEMBL3409706

SCHEMBL3409706

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

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.46
HCRTR2 O43614 20/20 0.46

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
SCHEMBL3409710 0.83 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2930537 0.82 TSHR (0.46) HCRTR1HCRTR2
SCHEMBL3415640 0.82 TSHR (0.46) HCRTR1HCRTR2
SCHEMBL2927637 0.80 RAB9A (0.39) HCRTR1HCRTR2
SCHEMBL3415876 0.80 CDK4 (0.36) HCRTR1HCRTR2
SCHEMBL2925297 0.80 CDK4 (0.36) HCRTR1HCRTR2
SCHEMBL2925182 0.80 POLB (0.50) HCRTR1HCRTR2
SCHEMBL2930333 0.79 SMN1; SMN2 (0.39) HCRTR1HCRTR2
SCHEMBL3412070 0.79 SMN1; SMN2 (0.39) HCRTR1HCRTR2
SCHEMBL2931896 0.78 HCRTR2 (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 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