SCHEMBL5234579

SCHEMBL5234579

Cc1cc(C#N)cc(C)c1C(=O)N1CC2CN(c3cccc(CCC(N)=O)c3)CC2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.42
HCRTR2 O43614 12/20 0.42
HTR7 P34969 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
PLA2G10 O15496 3/20 0.38
NOS2 P35228 1/20 0.38
PLA2G2A P14555 1/20 0.38
USP14 P54578 1/20 0.38
KCNH2 Q12809 1/20 0.35
NOTUM Q6P988 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
SCHEMBL4692413 0.89 HCRTR1 (0.53) HCRTR1HCRTR2PLA2G10KCNH2
SCHEMBL5237741 0.87 HCRTR1 (0.44) HCRTR1HCRTR2PLA2G10KCNH2
SCHEMBL5238954 0.86 HCRTR1 (0.43) HCRTR1HCRTR2HTR7TMEM97PLA2G10
SCHEMBL5236638 0.85 ALDH1A1 (0.44) HTR7TMEM97PLA2G10NOS2PLA2G2A
SCHEMBL5236254 0.85 PLA2G10 (0.41) HTR7TMEM97PLA2G10NOS2PLA2G2A
SCHEMBL5231170 0.84 HCRTR1 (0.52) HCRTR1HCRTR2PLA2G10KCNH2
SCHEMBL5237249 0.84 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL5236364 0.83 HCRTR1 (0.47) HCRTR1HCRTR2PLA2G10KCNH2
SCHEMBL5231862 0.83 HCRTR1 (0.43) HCRTR1HCRTR2KCNH2
SCHEMBL4697960 0.82 CCR5 (0.44) HCRTR1HCRTR2HTR7PLA2G10KCNH2

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-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