SCHEMBL3417003

SCHEMBL3417003

Cc1ccc(-c2ccccc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CN)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.45
HCRTR2 O43614 17/20 0.45
LMNA P02545 1/20 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
SCHEMBL2931897 1.00 HCRTR1 (0.45) HCRTR1HCRTR2LMNA
SCHEMBL2450553 0.94 HCRTR1 (0.43) HCRTR1HCRTR2LMNA
SCHEMBL3415643 0.91 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2930541 0.91 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2925288 0.90 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3415834 0.90 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2924532 0.89 SLC6A4 (0.40) HCRTR1HCRTR2LMNA
SCHEMBL2924236 0.89 KDM1A (0.35) HCRTR1HCRTR2
SCHEMBL2927516 0.89 CYP46A1 (0.40) HCRTR1HCRTR2
SCHEMBL2931080 0.88 HCRTR1 (0.42) 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