SCHEMBL16798917

SCHEMBL16798917

CC1(c2nc3cc(CCl)ccc3[nH]2)CCCN1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.50
HCRTR2 O43614 20/20 0.50

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
SCHEMBL19954967 0.72 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL19954979 0.68 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL19205044 0.68 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL19205086 0.68 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL16778881 0.68 HCRTR1 (0.88) HCRTR1HCRTR2
SCHEMBL16778884 0.68 HCRTR1 (0.88) HCRTR1HCRTR2
SCHEMBL18274307 0.68 HCRTR1 (0.87) HCRTR1HCRTR2
SCHEMBL18274309 0.68 HCRTR1 (0.87) HCRTR1HCRTR2
SCHEMBL18274281 0.67 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL18274280 0.67 HCRTR1 (1.00) 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-3077391-A1 USE OF BENZIMIDAZOLE-PROLINE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2016-10-12 EP claimed
WO-2015083094-A1 USE OF BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-11 WO claimed