SCHEMBL8925846

SCHEMBL8925846

Cc1cc(N)c(C=NO)c(C)c1OCCCc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.39
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH1 P35367 2/20 0.37
CHRNA7 P36544 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TBXAS1 P24557 4/20 0.35
RXFP3 Q9NSD7 1/20 0.35
SERPINE1 P05121 1/20 0.35
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL8924193 1.00 SCN8A (0.39) SCN8ACYP2A6TDP1L3MBTL1HRH1
SCHEMBL8921414 0.87 HPGD (0.32) HRH1CYP3A4CYP2D6CYP2C9RXFP3
SCHEMBL8921400 0.87 HPGD (0.32) HRH1CYP3A4CYP2D6CYP2C9RXFP3
SCHEMBL8923728 0.81 SCN8A (0.37) SCN8ATDP1HRH1CYP3A4CYP2D6
SCHEMBL9092884 0.78 HPGD (0.30)
SCHEMBL8824474 0.78 HPGD (0.32)
SCHEMBL8824485 0.78 HPGD (0.32)
SCHEMBL8824447 0.77 HPGD (0.39)
SCHEMBL8924199 0.75 SCN8A (0.46) SCN8ACYP2A6TDP1L3MBTL1HRH1
SCHEMBL8662072 0.75 HPGD (0.38)

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
US-5618821-A VIRICIDES, PICORNAVIRUS SANOFI, S.A. (FR) 1997-04-08 US disclosed
WO-1995031438-A1 THERAPEUTIC PHENOXYALKYLHETEROCYCLES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed