SCHEMBL4663249

SCHEMBL4663249

CC(C)(C)CNC(=O)COc1ccc(CNc2c(Cl)ccc3c2CNCCN3)cn1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.33
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGES O14684 1/20 0.31
KDM4E B2RXH2 2/20 0.30
SCN5A Q14524 1/20 0.30
MLLT1 Q03111 1/20 0.30
CYP2C9 P11712 1/20 0.30
EPHX2 P34913 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
SCHEMBL2584844 0.83 SCN9A (0.33) SCN9ASMN1; SMN2PTGESKDM4ESCN5A
SCHEMBL4663242 0.83 SMN1; SMN2 (0.33) SCN9ASMN1; SMN2KDM4ESCN5A
Cadaverine Tartrate SCHEMBL13685410 0.79 MLNR (0.31) SCN9ASCN5A
SCHEMBL2585280 0.75 SCN9A (0.33) SCN9APTGES
SCHEMBL2575837 0.74 SCN9A (0.34) SCN9AKDM4EMLLT1
SCHEMBL2575840 0.70 HTR2A (0.34) SCN9ASMN1; SMN2SCN5ACYP2C9EPHX2
SCHEMBL2578780 0.69 KDM4E (0.43) KDM4E
SCHEMBL507775 0.67 HTR2A (0.36) CYP2C9EPHX2
SCHEMBL13685575 0.67 ENPP2 (0.32) SCN9AMLLT1EPHX2
SCHEMBL14046025 0.66 MLNR (0.35) SCN9AMLLT1CYP2C9

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