SCHEMBL4671141

SCHEMBL4671141

O=C(C1CCCCC1)C1CNCC[N]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.40
TSHR P16473 2/20 0.40
SLC6A11 P48066 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A13 Q9NSD5 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CYP2D6 P10635 1/20 0.39
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNA7 P36544 1/20 0.32
NOS2 P35228 1/20 0.32
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL3555996 0.98 SLC6A1 (0.41) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL718025 0.91 CHRNB2 (0.39) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL3923836 0.83 SLC6A1 (0.35) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL2646009 0.75 CES2 (0.42) TSHRSMN1; SMN2CES2CES1HDAC8
SCHEMBL1462372 0.73 ALDH1A1 (0.35) TSHRSMN1; SMN2KDM4EKMT2ANOS2
SCHEMBL2915925 0.72
SCHEMBL2645251 0.72 CES2 (0.39) TSHRCES2CES1HDAC8HDAC6
SCHEMBL2250326 0.71 CYP3A4 (0.33) CYP2D6
SCHEMBL2250323 0.71 CYP3A4 (0.33) CYP2D6
SCHEMBL844181 0.71

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