SCHEMBL4694374

SCHEMBL4694374

Cc1ccc(F)c(C(=O)N2CC3CN(CCC(=O)Nc4ccc(C)c(Cl)c4)CC3C2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 3/20 0.44

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
SCHEMBL4692708 0.93 CYP1A2 (0.49) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL4695934 0.93 HCRTR1 (0.47) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL4693714 0.91 KMT2A (0.50) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL4691903 0.90 MEN1 (0.55) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL4690733 0.90 HCRTR1 (0.46) KMT2AMEN1MAPTPOLBGAA
SCHEMBL4694967 0.89 KMT2A (0.48) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL4694082 0.88 MEN1 (0.47) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL4692942 0.87 CYP2C9 (0.49) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL4692701 0.87 CYP2C9 (0.51) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL4694161 0.86 KMT2A (0.48) KMT2AMEN1MAPTLMNAPOLB

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