SCHEMBL4695950

SCHEMBL4695950

Cc1ccc(NC(=O)CCN2CC3CN(C(=O)c4cccc(N(C)C)c4)CC3C2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.45
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
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
SCHEMBL4692068 0.90 ALDH1A1 (0.49) TERTTP53SMN1; SMN2MAPTKMT2A
SCHEMBL4695952 0.86 MAPT (0.43) SMN1; SMN2MAPTRAB9AALDH1A1GAA
SCHEMBL4693609 0.86 SMN1; SMN2 (0.52) TP53SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL4694150 0.85 NPY2R (0.51) SMN1; SMN2MAPTKMT2ARAB9AALDH1A1
SCHEMBL3281859 0.84 CCR5 (0.52) TP53SMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL4695971 0.83 LMNA (0.50) TP53SMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL4693215 0.83 MEN1 (0.49) SMN1; SMN2MAPTKMT2ARAB9AALDH1A1
SCHEMBL4690632 0.83 LMNA (0.44) TP53SMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL4690541 0.83 TP53 (0.46) TERTTP53SMN1; SMN2MAPTKMT2A
SCHEMBL4691866 0.82 KMT2A (0.47) TP53SMN1; SMN2MAPTKMT2AALDH1A1

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 3 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