SCHEMBL4670616

SCHEMBL4670616

NC(=O)CN1CCN([C@@H]2CC(C(=O)c3ccc(Cl)cc3)CC[N]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.41
KDM2B Q8NHM5 3/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 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
SCHEMBL8153997 0.86 KDM2B (0.41) MGLLKDM2BLMNATP53MAPT
SCHEMBL8147774 0.86 KDM2B (0.55) MGLLKDM2BLMNATP53MAPT
SCHEMBL8149178 0.84 MGLL (0.48) MGLLKDM2BLMNATP53MAPT
SCHEMBL8154882 0.83 MGLL (0.43) MGLLLMNATP53MAPTL3MBTL1
SCHEMBL7325935 0.82 MGLL (0.46) MGLLKDM2BLMNATP53MAPT
SCHEMBL4671256 0.82 MGLL (0.46) MGLLKDM2BLMNATP53MAPT
SCHEMBL8140788 0.81 ALDH1A1 (0.48) MGLLLMNATP53MAPTL3MBTL1
SCHEMBL8105525 0.81 MGLL (0.43) MGLLLMNATP53MAPTL3MBTL1
SCHEMBL8111407 0.80 LMNA (0.46) MGLLKDM2BLMNATP53MAPT
SCHEMBL4673290 0.79 ACKR3 (0.48)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 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