SCHEMBL4674087

SCHEMBL4674087

O=C(Cc1ccccc1)C1CC[N]CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PAM P19021 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1155730 0.87 FAAH (0.55) FAAHCES2CES1AKR1B1L3MBTL1
SCHEMBL4656202 0.83 ALDH1A1 (0.56) FAAHCES2CES1AKR1B1L3MBTL1
SCHEMBL800064 0.83 EPHX2 (0.56) FAAHCES2CES1AKR1B1L3MBTL1
SCHEMBL163232 0.81 EPHX2 (0.59) FAAHCES2CES1AKR1B1L3MBTL1
SCHEMBL1477277 0.79 GBA1 (0.50) FAAHCES2CES1AKR1B1L3MBTL1
SCHEMBL25813103 0.77 L3MBTL1 (0.47) FAAHCES2CES1AKR1B1L3MBTL1
Hydrochloric Acid SCHEMBL9310454 0.77 GBA1 (0.49) FAAHCES2CES1AKR1B1L3MBTL1
SCHEMBL4676974 0.75 ALDH1A1 (0.73) LMNAALDH1A1HPGDUSP2MAPT
SCHEMBL6657922 0.75 ABL1 (0.68) FAAHMEN1KMT2AABL1RIN1
SCHEMBL11094729 0.75 CHRM2 (0.45) CES2CES1AKR1B1L3MBTL1LMNA

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