SCHEMBL4694082

SCHEMBL4694082

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4cc(F)c(Cl)cc4Cl)CC3C2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.46
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 2/20 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
SCHEMBL4693714 0.92 KMT2A (0.50) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL4696911 0.89 TP53 (0.43) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL4691903 0.89 MEN1 (0.55) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL4692942 0.88 CYP2C9 (0.49) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL4694374 0.88 KMT2A (0.48) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL4692708 0.88 CYP1A2 (0.49) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL4694967 0.88 KMT2A (0.48) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL4692701 0.88 CYP2C9 (0.51) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL4694161 0.87 KMT2A (0.48) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL4695646 0.87 KMT2A (0.48) MEN1KMT2AMAPTLMNAPOLB

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