SCHEMBL4309804

SCHEMBL4309804

Cc1cccc(-c2sc(C3CC3)nc2C(=O)N2CCC[CH]C2C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.51
HCRTR2 O43614 20/20 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
SCHEMBL1029565 0.89 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL3053159 0.86 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL4313753 0.83 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3053162 0.81 HCRTR1 (0.56) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL3050228 0.81 HCRTR1 (0.55) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL3050231 0.81 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1028778 0.79 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1032005 0.79 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3414501 0.79 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL985715 0.78 HCRTR1 (0.51) 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