SCHEMBL4606949

SCHEMBL4606949

CNC(=O)c1ccc(C(=O)Nc2ccc(C3CCCC3NS(=O)(=O)C(C)C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 14/20 0.60
GRIA2 P42262 2/20 0.59
HDAC3 O15379 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
DEGS1 O15121 1/20 0.41
KDM1A O60341 2/20 0.40
MAOA P21397 2/20 0.40
KDM1B Q8NB78 2/20 0.40
RCOR1 Q9UKL0 2/20 0.40

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
SCHEMBL4606558 1.00 GRIA4 (0.60) GRIA4GRIA2HDAC3HDAC11HDAC8
SCHEMBL4607477 0.92 GRIA4 (0.57) GRIA4GRIA2
SCHEMBL4607636 0.92 GRIA4 (0.57) GRIA4GRIA2
SCHEMBL4607083 0.91 GRIA4 (0.60) GRIA4GRIA2HDAC3HDAC11HDAC8
SCHEMBL4606652 0.91 GRIA4 (0.60) GRIA4GRIA2HDAC3HDAC11HDAC8
SCHEMBL4606846 0.90 GRIA4 (0.74) GRIA4GRIA2
SCHEMBL4607162 0.90 GRIA4 (0.59) GRIA4GRIA2KDM1AMAOAKDM1B
SCHEMBL4605406 0.90 GRIA4 (0.59) GRIA4GRIA2KDM1AMAOAKDM1B
SCHEMBL4606850 0.90 GRIA4 (0.74) GRIA4GRIA2
SCHEMBL4607075 0.90 GRIA4 (0.70) GRIA4GRIA2KDM1AMAOAKDM1B

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 1 patent. 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