SCHEMBL4692648

SCHEMBL4692648

NC(=O)c1ccccc1[CH]CCN1CC2CN(C(=O)c3nccc4ccccc34)C[C@@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.42
HCRTR2 O43614 13/20 0.42
CCR3 P51677 1/20 0.36
PDE2A O00408 1/20 0.36

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 0.80 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL4694309 0.80 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL4694455 0.80 CHRNB2 (0.44)
SCHEMBL4689903 0.78 P2RX7 (0.41)
SCHEMBL4693659 0.78 CHRNB2 (0.47)
SCHEMBL4695117 0.78 HDAC3 (0.41) HCRTR1HCRTR2PDE2A
SCHEMBL4692755 0.77 ALDH1A1 (0.45)
SCHEMBL4692415 0.77 RAB9A (0.49)
SCHEMBL4695295 0.77 HSD17B10 (0.45) HCRTR1HCRTR2PDE2A
SCHEMBL4690222 0.77 CHRNA4 (0.46) 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