SCHEMBL1672465

SCHEMBL1672465

O=C(c1ccccc1-c1cccs1)N1CCC2CN(c3cnc4ccccc4n3)C2C1

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
SCHEMBL11900760 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672454 0.92 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11900856 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671977 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6900587 0.86 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6899342 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6900377 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672683 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671956 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11900429 0.82 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 5 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 claimed
WO-2011050200-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO claimed
EP-2491034-B1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-12-18 EP disclosed
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