SCHEMBL4693891

SCHEMBL4693891

Cc1ccc(NCCCN2CC3CN(C(=O)c4nccc5ccccc45)CC3C2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR3 P51677 2/20 0.42
HCRTR1 O43613 8/20 0.41
HCRTR2 O43614 7/20 0.41
PDE2A O00408 1/20 0.40
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
DRD2 P14416 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL4689933 0.87 MALT1 (0.43) KDM4EGAASMN1; SMN2HCRTR1HCRTR2
SCHEMBL4693294 0.87 PDE10A (0.42) KDM4EGAASMN1; SMN2HCRTR1HCRTR2
SCHEMBL4693056 0.87 TP53 (0.44) SMN1; SMN2CCR3HCRTR1HCRTR2MAPT
SCHEMBL4691538 0.84 CHRNB2 (0.44) KDM4EGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL4691640 0.82 MAPT (0.54) KDM4EGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL3282227 0.82 CCR5 (0.51) KCNH2
SCHEMBL4693802 0.81 MEN1 (0.46) SMN1; SMN2ALDH1A1MAPTDRD3
SCHEMBL4695974 0.81 ALDH1A1 (0.43) KDM4EGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL4692889 0.81 MAPT (0.45) KDM4EGAASMN1; SMN2HCRTR1HCRTR2
SCHEMBL4693334 0.81 ALDH1A1 (0.45) KDM4EGAASMN1; SMN2ALDH1A1MAPT

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-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP 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