SCHEMBL4670951

SCHEMBL4670951

Cc1ccc(C(=O)C2CC[N]CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
CYP2D6 P10635 1/20 0.62
MGLL Q99685 2/20 0.51
HSD11B1 P28845 1/20 0.51
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
TSHR P16473 1/20 0.46
KCNH2 Q12809 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL728685 0.86 KMT2A (0.72) KMT2AMEN1CYP2D6MGLLHSD11B1
Bicarbonate SCHEMBL11484457 0.82 KMT2A (0.68) KMT2AMEN1CYP2D6MGLLHSD11B1
SCHEMBL8119800 0.82 KMT2A (0.68) KMT2AMEN1CYP2D6MGLLHSD11B1
SCHEMBL4673866 0.81 MGLL (0.51) KMT2AMEN1CYP2D6MGLLHSD11B1
SCHEMBL4671500 0.81 HSD11B1 (0.58) MGLLHSD11B1POLBALDH1A1
SCHEMBL2297101 0.81 MGLL (0.58) KMT2AMEN1MGLLHSD11B1LMNA
SCHEMBL654047 0.81 HTR2A (0.49) KMT2AMEN1MGLLHSD11B1ALDH1A1
SCHEMBL507614 0.81 KMT2A (0.66) KMT2AMEN1CYP2D6MGLLHSD11B1
SCHEMBL4675008 0.81 NPC1 (0.71) KMT2AMEN1MGLLHSD11B1POLB
SCHEMBL4671079 0.81 MEN1 (0.56) KMT2AMEN1CYP2D6HTTALDH1A1

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
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