SCHEMBL3412495

SCHEMBL3412495

Cc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CN)c(-c2ccc(C)c(C)c2)s1

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
SCHEMBL3411996 1.00 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2931068 1.00 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2447475 0.94 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2445171 0.90 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2930078 0.89 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3413297 0.89 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3417701 0.89 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3414370 0.89 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2927774 0.88 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2799726 0.88 HCRTR1 (0.56) 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 6 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-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 EP claimed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO claimed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP disclosed
EP-2185512-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 EP disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO disclosed