SCHEMBL8103922

SCHEMBL8103922

COC(=O)[C@H]1CCCN(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.52
MGLL Q99685 7/20 0.51
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 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
SCHEMBL8149182 0.82 MGLL (0.67) MGLLLMNATP53MAPTL3MBTL1
SCHEMBL8103919 0.78 KDM2B (0.47) KDM2BMGLLLMNAALDH1A1HTT
SCHEMBL8109746 0.78 MGLL (0.58) MGLLLMNATP53MAPTL3MBTL1
SCHEMBL4671259 0.75 MGLL (0.65) MGLLLMNATP53MAPTL3MBTL1
SCHEMBL8103874 0.75 LMNA (0.53) KDM2BMGLLLMNATP53MAPT
SCHEMBL8140791 0.73 MGLL (0.62) MGLLLMNATP53MAPTL3MBTL1
SCHEMBL8109771 0.73 KMT2A (0.69) MGLLLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL8106361 0.73 LMNA (0.58) MGLLLMNATP53MAPTL3MBTL1
SCHEMBL2322628 0.72 MGLL (0.64) KDM2BMGLLLMNATP53MAPT
SCHEMBL3391998 0.72 MGLL (0.69) MGLLLMNATP53MAPTL3MBTL1

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
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed