SCHEMBL1672575

SCHEMBL1672575

Cc1cccc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)n1

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
SCHEMBL1672571 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672386 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672387 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6900429 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11900346 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11900340 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671791 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672077 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672074 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672055 0.88 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 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