SCHEMBL4691333

SCHEMBL4691333

Cc1ccc(NCCCN2CC3CN(C(=O)c4cnn(-c5ccc(Cl)cc5)c4C(F)(F)F)CC3C2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
NR1H4 Q96RI1 1/20 0.42
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
GPR6 P46095 1/20 0.39
TRPC3 Q13507 2/20 0.39
TRPC1 P48995 1/20 0.39
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
STIM2 Q9P246 1/20 0.39
SPR P35270 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
CCR1 P32246 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL4694966 0.95 NR1H4 (0.42) MAPTNR1H4TP53SMN1; SMN2POLB
SCHEMBL4694232 0.95 PDK1 (0.42) MAPTNR1H4TP53SMN1; SMN2POLB
SCHEMBL4691506 0.94 NR1H4 (0.49) MAPTNR1H4TP53SMN1; SMN2POLB
SCHEMBL4693427 0.93 MAPT (0.42) MAPTNR1H4TP53SMN1; SMN2POLB
SCHEMBL4692823 0.89 NR1H4 (0.47) MAPTNR1H4TP53SMN1; SMN2POLB
SCHEMBL4691665 0.86 TP53 (0.41) MAPTTP53SMN1; SMN2POLBSPR
SCHEMBL4690623 0.85 MAPT (0.42) MAPTNR1H4TP53SPRLMNA
SCHEMBL4690978 0.84 MAPT (0.40) MAPTTP53SMN1; SMN2POLBKDM4E
SCHEMBL4691686 0.84 MAPT (0.48) MAPTNR1H4TP53SMN1; SMN2POLB
SCHEMBL4695747 0.84 NR1H4 (0.47) MAPTNR1H4TP53SMN1; SMN2POLB

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