SCHEMBL4690927

SCHEMBL4690927

COc1ccc(C(=O)N2CC3CN(C(CC(N)=O)c4ccc(C)c(Cl)c4)CC3C2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.49
HCRTR2 O43614 11/20 0.49
HSD11B1 P28845 2/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
MGLL Q99685 1/20 0.37
MCHR1 Q99705 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL4695901 0.93 HCRTR2 (0.47) HCRTR1HCRTR2
SCHEMBL4691836 0.91 HCRTR2 (0.40) HCRTR1HCRTR2LMNAALDH1A1GFER
SCHEMBL4689519 0.91 ALDH1A1 (0.47) HCRTR1HCRTR2LMNAMEN1KMT2A
SCHEMBL4692329 0.89 CCR5 (0.44) HCRTR1HCRTR2LMNAMEN1KMT2A
SCHEMBL4690738 0.89 HCRTR1 (0.46) HCRTR1HCRTR2LMNAALDH1A1MGLL
SCHEMBL4693611 0.87 KCNK3 (0.44) HSD11B1LMNAMEN1KMT2AALDH1A1
SCHEMBL4692886 0.86 ALDH1A1 (0.42) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL4691302 0.86 HCRTR1 (0.42) HCRTR1HCRTR2MAPT
SCHEMBL4691405 0.86 HCRTR1 (0.48) HCRTR1HCRTR2ALDH1A1MGLL
SCHEMBL4690309 0.86 HCRTR1 (0.38) HCRTR1HCRTR2LMNAMEN1KMT2A

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-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
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 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