SCHEMBL8923728

SCHEMBL8923728

Cc1cc(N)c(/C=N\O)c(C)c1OCCCc1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.37
HRH1 P35367 2/20 0.36
RXFP3 Q9NSD7 1/20 0.35
PDE10A Q9Y233 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NAAA Q02083 1/20 0.33
HTR7 P34969 1/20 0.33
RECQL P46063 1/20 0.32

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
SCHEMBL8824485 0.83 HPGD (0.32)
SCHEMBL8824474 0.83 HPGD (0.32)
SCHEMBL8921400 0.82 HPGD (0.32) HRH1RXFP3CYP2D6CYP2C9CYP3A4
SCHEMBL8921414 0.82 HPGD (0.32) HRH1RXFP3CYP2D6CYP2C9CYP3A4
SCHEMBL8925846 0.81 SCN8A (0.39) SCN8AHRH1RXFP3CYP2D6CYP2C9
SCHEMBL8924193 0.81 SCN8A (0.39) SCN8AHRH1RXFP3CYP2D6CYP2C9
SCHEMBL8824447 0.81 HPGD (0.39)
SCHEMBL8555491 0.80 SMN1; SMN2 (0.32) SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL8662072 0.76 HPGD (0.38) SMN1; SMN2LMNAALDH1A1
SCHEMBL6981961 0.76 TSHR (0.32)

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