SCHEMBL7397131

SCHEMBL7397131

NC(=O)C1CN(C(N)=O)CCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.34
GLI1 P08151 1/20 0.34
MAPT P10636 1/20 0.34
FPR2 P25090 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
THRB P10828 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 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
SCHEMBL12491318 0.86 MAPT (0.37) SCN9AGLI1MAPTFPR2CHRNB2
SCHEMBL333798 0.86 MAPT (0.37) SCN9AGLI1MAPTFPR2CHRNB2
SCHEMBL28062436 0.86 MAPT (0.47) MAPTGRIN2DGRIN3BTHRBGRIN1
SCHEMBL15432263 0.85 CHRNB2 (0.38) SCN9AGLI1MAPTCHRNB2CHRNA3
SCHEMBL17560422 0.80 CHRNB2 (0.42) SCN9AMAPTFPR2CHRNB2CHRNA3
SCHEMBL26555059 0.80 ITGB2 (0.35) CHRNB2CHRNA3CHRNA4NOS3NOS1
SCHEMBL10560345 0.80 CHRNB2 (0.31) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23459089 0.79 GLI1 (0.36) SCN9AGLI1MAPTFPR2NOS3
Hydrochloric Acid SCHEMBL17560654 0.79 ITGB2 (0.35) CHRNB2CHRNA3CHRNA4
SCHEMBL18129961 0.78 USP2 (0.42) MAPTTHRBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP claimed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO claimed
EP-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed