SCHEMBL4691607

SCHEMBL4691607

Cc1nc(C(=O)N2CC3CN(CCCNc4ccc(C)c(Cl)c4)CC3C2)cs1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.48
ALDH1A1 P00352 6/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 4/20 0.39
KMT2A Q03164 1/20 0.39
CHRM2 P08172 3/20 0.38
CHRM3 P20309 3/20 0.38
TRPC3 Q13507 3/20 0.37
TRPC6 Q9Y210 3/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.36
AGTR1 P30556 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GRM5 P41594 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
SCHEMBL4691600 0.86 GFER (0.48) GFERALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL4691538 0.85 CHRNB2 (0.44) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4695667 0.84 SMN1; SMN2 (0.43) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL4694343 0.83 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL4693802 0.82 MEN1 (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL4695974 0.82 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL4694330 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ACHRM2CHRM3
SCHEMBL14436612 0.82 ALDH1A1 (0.45) ALDH1A1KCNH2MAPTKMT2AGAA
SCHEMBL4691640 0.81 MAPT (0.54) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL3281865 0.81 CCR5 (0.52) ALDH1A1MAPTGAASMN1; SMN2LMNA

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