SCHEMBL4694793

SCHEMBL4694793

Cc1ccc(NC(=O)CCN2CC3CNCC3[C@H]2C(=O)c2oc3ccccc3c2C)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
THRB P10828 2/20 0.43
TP53 P04637 4/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
TSHR P16473 3/20 0.40
HCRTR1 O43613 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4695245 0.81 MAPT (0.48) MAPTTHRBTP53LMNAKMT2A
SCHEMBL4696289 0.79 THRB (0.38) MAPTTHRBTP53LMNANPC1
SCHEMBL4695896 0.79 POLB (0.46) MAPTTHRBTP53KMT2AMEN1
SCHEMBL4695787 0.77 TP53 (0.39) MAPTTHRBTP53LMNAKMT2A
SCHEMBL3286924 0.75 TP53 (0.53) MAPTTP53LMNAKMT2AMEN1
SCHEMBL4695249 0.68 RECQL (0.48) MAPTTP53LMNAKMT2AMEN1
SCHEMBL3281859 0.67 CCR5 (0.52) TP53LMNAKMT2AMEN1TSHR
SCHEMBL4692884 0.66 LMNA (0.48) MAPTTHRBTP53LMNAKMT2A
SCHEMBL4693095 0.65 TP53 (0.45) MAPTTP53LMNAKMT2AMEN1
SCHEMBL4692723 0.65 CHRNB2 (0.47) MAPTTP53LMNAKMT2AHCRTR1

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 1 patent. 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