SCHEMBL4690592

SCHEMBL4690592

CCOc1nc(N(C)C)ccc1C(=O)N1CC2CN(CCC(=O)Nc3ccc(C)c(Cl)c3)CC2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4690595 0.88 HCRTR1 (0.40) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL4694383 0.82 SMN1; SMN2 (0.50) LMNASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL4692331 0.81 MAPT (0.52) LMNASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL4693136 0.80 MAPT (0.46) LMNASMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL4695194 0.80 TP53 (0.42) LMNAALDH1A1TSHRHTTMAPT
SCHEMBL4691620 0.80 THRB (0.47) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4690632 0.80 LMNA (0.44) LMNASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL4695171 0.79 TP53 (0.40) LMNASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL4690733 0.79 HCRTR1 (0.46) MAPTMEN1GAAKMT2AHCRTR1
SCHEMBL4690677 0.79 POLB (0.48) LMNAMAPTMEN1GAAKMT2A

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