SCHEMBL4313753

SCHEMBL4313753

NC(=O)C1[CH]CCCN1C(=O)c1nc(C2CC2)sc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.51
HCRTR2 O43614 10/20 0.51

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
SCHEMBL3038243 0.86 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1027554 0.86 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3053180 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL4309804 0.83 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3363252 0.81 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3363257 0.81 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL3051309 0.81 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL3038245 0.81 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL3363290 0.81 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3363286 0.81 HCRTR1 (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318367-B1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP claimed
WO-2009133522-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-05 WO claimed
EP-2318367-B1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP disclosed
WO-2009133522-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-05 WO disclosed