SCHEMBL4693609

SCHEMBL4693609

COc1cccc(C(=O)N2CC3CN(CCC(=O)Nc4ccc(C)c(Cl)c4)CC3C2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 5/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPY2R P49146 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MGLL Q99685 2/20 0.49
GFER P55789 1/20 0.49
TP53 P04637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
CACNA1G O43497 1/20 0.45

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
SCHEMBL4689516 0.90 MAPT (0.61) SMN1; SMN2MAPTPOLBKMT2ATP53
SCHEMBL4690926 0.87 MAPT (0.54) SMN1; SMN2MAPTKMT2ADRD2DRD4
SCHEMBL4693613 0.87 GFER (0.49) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL4692326 0.86 CCR5 (0.51) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL4695950 0.86 TERT (0.45) SMN1; SMN2MAPTPOLBKMT2ARAB9A
SCHEMBL4693892 0.86 HCRTR1 (0.47) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL4695900 0.85 MAPT (0.51) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4691831 0.85 MAPT (0.51) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL4694150 0.85 NPY2R (0.51) SMN1; SMN2MAPTPOLBKMT2ANPY2R
SCHEMBL4690305 0.85 MAPT (0.49) SMN1; SMN2MAPTMEN1KMT2ANPSR1

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