SCHEMBL4694022

SCHEMBL4694022

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4cccc(C(F)(F)F)c4Cl)CC3C2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.47
NPY2R P49146 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4693012 0.93 NPY2R (0.51) NPY2RKMT2A
SCHEMBL4691177 0.92 NPY2R (0.43) P2RX7NPY2RKMT2A
SCHEMBL4694352 0.89 KMT2A (0.47) P2RX7KMT2A
SCHEMBL4694236 0.87 EPHX2 (0.44) KMT2A
SCHEMBL4694025 0.87 P2RX7 (0.48) P2RX7
SCHEMBL4692104 0.86 HCRTR1 (0.50) NPY2RKMT2A
SCHEMBL4693167 0.86 HCRTR1 (0.50) KMT2A
SCHEMBL4691866 0.86 KMT2A (0.47) KMT2A
SCHEMBL4697499 0.86 P2RX7 (0.49) P2RX7NPY2R
SCHEMBL4692884 0.86 LMNA (0.48) KMT2A

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