SCHEMBL3879332

SCHEMBL3879332

CC(C)N1CCC(CCCNC(=O)NS(=O)(=O)CCN)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.35
SIGMAR1 Q99720 2/20 0.33
ITGB3 P05106 5/20 0.32
ITGA2B P08514 5/20 0.32
HTR4 Q13639 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
SMYD3 Q9H7B4 3/20 0.31
NAMPT P43490 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3879326 0.86 ALDH1A1 (0.35) F10SIGMAR1ITGB3ITGA2BHTR4
SCHEMBL3885138 0.72 HTR4 (0.33) F10HTR4ALDH1A1
SCHEMBL25122577 0.69 HRH3 (0.40) SIGMAR1ITGB3ITGA2BHTR4ALDH1A1
SCHEMBL220468 0.69 F10 (0.48) F10SMYD3ALDH1A1
SCHEMBL13999390 0.68 HRH3 (0.39) HTR4HDAC3HDAC4HDAC1HDAC7
SCHEMBL10447140 0.67 HRH3 (0.45) HTR4
SCHEMBL31273027 0.67 HRH3 (0.47) HTR4ALDH1A1
SCHEMBL31272933 0.67 HRH3 (0.47) SIGMAR1HTR4ALDH1A1
Fumaric Acid SCHEMBL3873534 0.66 F10 (0.47) F10SMYD3ALDH1A1MAPT
SCHEMBL20782485 0.66 ENPP1 (0.43) SIGMAR1

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-1888567-B1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS (FR) 2009-12-16 EP claimed