SCHEMBL4607083

SCHEMBL4607083

CC(=O)Nc1ccc(C(=O)Nc2ccc(C3CCCC3NS(=O)(=O)C(C)C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 13/20 0.60
GRIA2 P42262 2/20 0.59
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
POLB P06746 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DEGS1 O15121 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL4606652 1.00 GRIA4 (0.60) GRIA4GRIA2KCNH2ALDH1A1CACNA1B
SCHEMBL4606558 0.91 GRIA4 (0.60) GRIA4GRIA2HDAC3HDAC11HDAC8
SCHEMBL4606949 0.91 GRIA4 (0.60) GRIA4GRIA2HDAC3HDAC11HDAC8
SCHEMBL4606846 0.90 GRIA4 (0.74) GRIA4GRIA2
SCHEMBL4607162 0.90 GRIA4 (0.59) GRIA4GRIA2POLB
SCHEMBL4605406 0.90 GRIA4 (0.59) GRIA4GRIA2POLB
SCHEMBL4606850 0.90 GRIA4 (0.74) GRIA4GRIA2
SCHEMBL4607600 0.90 GRIA4 (0.70) GRIA4GRIA2
SCHEMBL4607075 0.90 GRIA4 (0.70) GRIA4GRIA2
SCHEMBL4605831 0.90 GRIA4 (0.55) GRIA4GRIA2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP claimed
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP disclosed