SCHEMBL23734883

SCHEMBL23734883

Cc1cccc(C(=O)N2CCC(Nc3cccc(N)c3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GFER P55789 1/20 0.52
EPHX2 P34913 1/20 0.51
HPGD P15428 1/20 0.49
HCRTR1 O43613 2/20 0.48
RHOA P61586 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD11B1 P28845 1/20 0.47
MGLL Q99685 1/20 0.47
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL22772044 0.81 EPHX2 (0.60) HTTL3MBTL1EPHX2HPGDRHOA
SCHEMBL3579474 0.80 SPR (0.48) GFERHCRTR1KMT2A
SCHEMBL3579476 0.80 SPR (0.48) GFERHCRTR1KMT2A
SCHEMBL279836 0.80 EPHX2 (0.59) HTTL3MBTL1EPHX2HPGDRHOA
SCHEMBL15829846 0.79 EPHX2 (0.52) L3MBTL1EPHX2CTDSP1TDP1KMT2A
SCHEMBL16220683 0.79 EPHX2 (0.52) L3MBTL1EPHX2CTDSP1TDP1KMT2A
SCHEMBL15830341 0.79 EPHX2 (0.52) L3MBTL1EPHX2CTDSP1TDP1KMT2A
SCHEMBL25909077 0.79 EPHX2 (0.53) HTTL3MBTL1EPHX2HPGDCTDSP1
SCHEMBL22735588 0.77 HTT (0.51) HTTL3MBTL1EPHX2HPGDRHOA
SCHEMBL23734969 0.77 HTT (0.51) HTTL3MBTL1EPHX2HPGDRHOA

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-3594202-B1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-08-11 EP disclosed