SCHEMBL4694289

SCHEMBL4694289

NC(=O)c1ccccc1[CH]CCN1CC2CN(C(=O)c3cccnc3Br)C[C@@H]2C1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.51
HCRTR2 O43614 17/20 0.51
HRH4 Q9H3N8 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4694309 0.88 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL4689903 0.83 P2RX7 (0.41) KMT2A
SCHEMBL4694455 0.82 CHRNB2 (0.44) KMT2A
SCHEMBL4694336 0.81 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL4692648 0.80 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL4691301 0.79 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL4691802 0.79 CCR5 (0.48) HCRTR1HCRTR2KMT2A
SCHEMBL4693059 0.78 CCR5 (0.37) KMT2A
SCHEMBL4693659 0.78 CHRNB2 (0.47)
SCHEMBL4694315 0.78 HCRTR2 (0.41) HCRTR1HCRTR2KMT2A

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