SCHEMBL4694309

SCHEMBL4694309

NC(=O)c1ccccc1[CH]CCN1CC2CN(C(=O)c3cccnc3F)C[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.39
HCRTR2 O43614 20/20 0.39

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
SCHEMBL4694289 0.88 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL4691301 0.83 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL4689903 0.83 P2RX7 (0.41)
SCHEMBL4694455 0.82 CHRNB2 (0.44)
SCHEMBL4694336 0.81 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL4691673 0.80 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL4691928 0.80 MAPK1 (0.41) HCRTR1HCRTR2
SCHEMBL4692648 0.80 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3284141 0.79 CCR5 (0.42) HCRTR1HCRTR2
SCHEMBL4691802 0.79 CCR5 (0.48) 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-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed