SCHEMBL4693537

SCHEMBL4693537

COc1cc(F)c(C(=O)N2CC3CN(CCC(=O)Nc4ccc(C)c(Cl)c4)CC3C2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
CCR5 P51681 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL4692326 0.92 CCR5 (0.51) MAPTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL4694813 0.91 CYP1A2 (0.48) MAPTLMNAALDH1A1TP53TSHR
SCHEMBL4690305 0.90 MAPT (0.49) MAPTLMNAGAATP53TSHR
SCHEMBL4694785 0.89 KMT2A (0.48) MAPTLMNAALDH1A1GAATP53
SCHEMBL4693543 0.87 MAPT (0.46) MAPTLMNAALDH1A1GAAUSP2
SCHEMBL4694761 0.86 LMNA (0.49) MAPTLMNAALDH1A1TP53TSHR
SCHEMBL4689516 0.86 MAPT (0.61) MAPTLMNAALDH1A1GAATP53
SCHEMBL4693892 0.86 HCRTR1 (0.47) MAPTLMNAALDH1A1GAATP53
SCHEMBL4690926 0.85 MAPT (0.54) MAPTLMNAALDH1A1TP53TSHR
SCHEMBL4690401 0.84 TP53 (0.47) MAPTLMNAALDH1A1TP53TSHR

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