SCHEMBL1673170

SCHEMBL1673170

COc1cccc(OC)c1C(C=O)N1CC2CN(c3nc4ccc(Cl)cc4s3)CC2C1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 15/20 0.65
HCRTR1 O43613 12/20 0.65
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL1672099 0.79 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL1673171 0.76 HCRTR2 (0.75) HCRTR2HCRTR1
SCHEMBL1671903 0.71 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL1673018 0.69 NPC1 (0.60) HCRTR2HCRTR1NPC1RAB9ASMN1; SMN2
SCHEMBL4319929 0.67 HCRTR1 (1.00) HCRTR2HCRTR1NPC1RAB9ASMN1; SMN2
SCHEMBL10219134 0.67 NPC1 (0.60) HCRTR2HCRTR1NPC1RAB9ASMN1; SMN2
SCHEMBL10271881 0.67 NPC1 (0.60) HCRTR2HCRTR1NPC1RAB9ASMN1; SMN2
SCHEMBL11909230 0.64 HCRTR1 (0.68) HCRTR2HCRTR1NPC1RAB9A
SCHEMBL14843865 0.64 HCRTR2 (0.72) HCRTR2HCRTR1NPC1RAB9AMAPT
SCHEMBL10222030 0.64 NPC1 (0.56) HCRTR2HCRTR1NPC1RAB9ASMN1; SMN2

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-2491038-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2012-08-29 EP claimed
WO-2011050198-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO claimed