SCHEMBL4690747

SCHEMBL4690747

Cc1ccc(NCCCN2CC3CN(C(=O)c4ccc(Cl)cc4F)CC3C2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
LMNA P02545 2/20 0.40
P2RX7 Q99572 1/20 0.39
EPHX2 P34913 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
PDE2A O00408 1/20 0.38
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4692947 0.93 CPS1 (0.41) HCRTR1HCRTR2LMNAP2RX7MAPT
SCHEMBL4690670 0.93 UBE2M (0.44) HCRTR1HCRTR2LMNAUBE2MDCUN1D1
SCHEMBL4690682 0.93 P2RX7 (0.44) HCRTR1HCRTR2LMNAP2RX7UBE2M
SCHEMBL4694270 0.92 HCRTR1 (0.50) HCRTR1HCRTR2LMNAUBE2MDCUN1D1
SCHEMBL4694970 0.91 LMNA (0.40) HCRTR1HCRTR2LMNAUBE2MDCUN1D1
SCHEMBL4693721 0.91 MAPT (0.41) LMNAMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL4692694 0.91 LMNA (0.46) HCRTR1HCRTR2LMNAUBE2MDCUN1D1
SCHEMBL4691905 0.90 HCRTR1 (0.47) HCRTR1HCRTR2LMNAMAPTALDH1A1
SCHEMBL4692715 0.89 HCRTR1 (0.43) HCRTR1HCRTR2LMNAP2RX7MAPT
SCHEMBL4694377 0.89 LMNA (0.42) HCRTR1HCRTR2LMNAMAPTALDH1A1

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