SCHEMBL13620860

SCHEMBL13620860

Cc1nc(C(=O)NC(=N)NCCCCc2ccc(OCCCNC(=N)N)c3ccccc23)c(N)nc1N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 9/20 0.40
SLC2A1 P11166 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MCHR1 Q99705 2/20 0.33
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10125897 0.93 SCNN1A (0.38) SCNN1ASLC2A1KDM4EALDH1A1HPGD
SCHEMBL708473 0.90 SCNN1A (0.51) SCNN1AKDM4EALDH1A1HPGD
SCHEMBL13620861 0.87 SCNN1A (0.48) SCNN1AKDM4EKMT2A
SCHEMBL10116013 0.84 SCNN1A (0.48) SCNN1AKDM4EALDH1A1HPGD
SCHEMBL709519 0.83 SCNN1A (0.49) SCNN1AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL709294 0.83 SCNN1A (0.48) SCNN1AKDM4EALDH1A1HPGD
SCHEMBL707207 0.82 SCNN1A (0.46) SCNN1ASLC2A1KDM4EALDH1A1HPGD
SCHEMBL15452106 0.82 SCNN1A (0.39) SCNN1ASLC2A1KDM4EALDH1A1HPGD
SCHEMBL708287 0.81 SCNN1A (0.45) SCNN1AKDM4EALDH1A1HPGD
SCHEMBL16808345 0.80 SCNN1A (0.45) SCNN1ASLC2A1KDM4EALDH1A1HPGD

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
WO-2009139948-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2009-11-19 WO disclosed