SCHEMBL4695000

SCHEMBL4695000

Cc1ccc(C(CC(N)=O)N2CC3CN(C(=O)c4cnccc4N(C)C)CC3C2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
TNF P01375 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
CYP11B2 P19099 2/20 0.31
CYP11B1 P15538 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL4691396 0.91 HCRTR1 (0.39) HCRTR1HCRTR2TNFLMNATP53
SCHEMBL4693625 0.89 HCRTR1 (0.37) HCRTR1HCRTR2TNFLMNATP53
SCHEMBL4690634 0.88 TNF (0.38) HCRTR1HCRTR2TNFLMNAPOLB
SCHEMBL4695174 0.86 HCRTR1 (0.34) HCRTR1HCRTR2TNFLMNATP53
SCHEMBL4690180 0.86 RBP4 (0.41) HCRTR1HCRTR2TP53CYP11B2
SCHEMBL4693914 0.85 LMNA (0.34) TNFLMNATP53POLBMAPT
SCHEMBL4695972 0.85 CHRNB2 (0.40) HCRTR1HCRTR2TNFPOLB
SCHEMBL4695197 0.83 HCRTR1 (0.38) HCRTR1HCRTR2TNFMAPT
SCHEMBL4693218 0.83 CHRNB2 (0.45) LMNATP53POLBMAPT
SCHEMBL4690609 0.81 HCRTR1 (0.41) 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 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