SCHEMBL4793708

SCHEMBL4793708

CC(C)(C)CS(=O)(=O)Cc1ncccc1CN

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.35
DPP4 P27487 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.32
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
CA9 Q16790 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
COMT P21964 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
SCHEMBL4793568 0.82 CCR9 (0.36) CCR9DPP4LOXL2KMT2ACA1
SCHEMBL4793133 0.77 KMT2A (0.39) CCR9DPP4LOXL2KMT2ACA1
SCHEMBL4777327 0.75 KCNA5 (0.41) CA1CA2CA9KDM4E
SCHEMBL2491544 0.71 DPP4 (0.47) DPP4LOXL2KDM4EMAPT
SCHEMBL3287856 0.70 DPP4 (0.43) DPP4LOXL2KDM4E
SCHEMBL20818541 0.69 DPP4 (0.40) DPP4LOXL2
SCHEMBL2585449 0.67 PSIP1 (0.46) LOXL2KMT2ACA1CA2CA9
SCHEMBL16547434 0.67 DPP4 (0.43) DPP4LOXL2KDM4EMAPT
SCHEMBL17778287 0.67 DPP4 (0.40) DPP4LOXL2KDM4EMAPT
SCHEMBL12732660 0.67 NPC1 (0.39) KMT2AKDM4EMAPT

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-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed