SCHEMBL1672690

SCHEMBL1672690

COc1ccc(C(=O)N2CCC3CN(c4cc(C(F)(F)F)ccn4)C3C2)c(-n2nccn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 20/20 1.00

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
SCHEMBL1672686 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671918 0.94 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671922 0.94 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672470 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1586893 0.84 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL11901138 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6900897 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672970 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19549717 0.81 HCRTR1 (0.82) HCRTR1HCRTR2
SCHEMBL19551095 0.81 HCRTR1 (0.82) 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-2491034-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-08-29 EP disclosed
WO-2011050200-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed