SCHEMBL4690368

SCHEMBL4690368

Cc1ccc(-n2nc(C)cc2C(=O)N2CC3CN(CCC(=O)Nc4ccc(C)c(Cl)c4)CC3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL4692808 0.92 MAPT (0.48) KMT2ATP53MAPTLMNA
SCHEMBL4690373 0.87 TSHR (0.41) KMT2ATSHRTP53MAPTLMNA
SCHEMBL4694624 0.85 POLB (0.44) TSHRTP53MAPTLMNA
SCHEMBL4691661 0.84 MAPT (0.45) TP53MAPT
SCHEMBL4693812 0.82 LMNA (0.48) KMT2ATSHRTP53MAPTLMNA
SCHEMBL4695934 0.81 HCRTR1 (0.47) KMT2ATSHRTP53MAPTMEN1
SCHEMBL4695747 0.81 NR1H4 (0.47) KMT2ATP53MAPTLMNA
SCHEMBL4690733 0.81 HCRTR1 (0.46) KMT2ATP53MAPTMEN1USP2
SCHEMBL4694331 0.80 TP53 (0.47) KMT2ATSHRTP53MAPTLMNA
SCHEMBL4690401 0.80 TP53 (0.47) KMT2ATSHRTP53MAPTLMNA

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