SCHEMBL4689928

SCHEMBL4689928

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4ncccc4Cl)CC3C2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.47
TP53 P04637 5/20 0.45
MAPT P10636 2/20 0.45
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL4693286 0.94 TP53 (0.45) MALT1TP53MAPTDRD2DRD4
SCHEMBL4690539 0.88 TP53 (0.45) MALT1TP53MAPTDRD2DRD4
SCHEMBL4691527 0.87 DRD2 (0.47) TP53DRD2DRD4DRD3KMT2A
SCHEMBL4693056 0.87 TP53 (0.44) MALT1TP53MAPTKMT2ALMNA
SCHEMBL4690604 0.87 TP53 (0.44) MALT1TP53MAPTDRD2DRD4
SCHEMBL4689933 0.85 MALT1 (0.43) MALT1TP53MAPTLMNAALDH1A1
SCHEMBL4695194 0.85 TP53 (0.42) MALT1TP53MAPTDRD2DRD4
SCHEMBL5662686 0.85 MALT1 (0.50) MALT1TP53MAPTDRD2DRD4
SCHEMBL4693136 0.85 MAPT (0.46) MALT1TP53MAPTKMT2ALMNA
SCHEMBL4695971 0.85 LMNA (0.50) TP53MAPTKMT2ALMNAALDH1A1

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