SCHEMBL4691868

SCHEMBL4691868

Cc1ccc(C(CC(N)=O)N2CC3CN(C(=O)c4cccc(C)c4C)CC3C2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.47
HCRTR2 O43614 7/20 0.47
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
TNF P01375 1/20 0.38
P2RX7 Q99572 4/20 0.37
CCR5 P51681 1/20 0.36
GBA1 P04062 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4692886 0.92 ALDH1A1 (0.42) HCRTR1HCRTR2TNFCCR5GBA1
SCHEMBL4695647 0.92 HCRTR1 (0.48) HCRTR1HCRTR2TNF
SCHEMBL4693952 0.91 HCRTR1 (0.50) HCRTR1HCRTR2TNF
SCHEMBL4694354 0.91 P2RX7 (0.44) HCRTR1HCRTR2TNFP2RX7
SCHEMBL4691302 0.90 HCRTR1 (0.42) HCRTR1HCRTR2TNFCCR5GBA1
SCHEMBL3281863 0.89 HCRTR1 (0.48) HCRTR1HCRTR2TNFCCR5
SCHEMBL4694165 0.88 HCRTR1 (0.48) HCRTR1HCRTR2TNFP2RX7
SCHEMBL4693484 0.88 HCRTR1 (0.48) HCRTR1HCRTR2TNFP2RX7CCR5
SCHEMBL4691904 0.88 HCRTR1 (0.46) HCRTR1HCRTR2TNFALDH1A1LMNA
SCHEMBL4694224 0.88 TNF (0.39) HCRTR1HCRTR2TNFCCR5GBA1

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 4 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
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO disclosed