SCHEMBL808343

SCHEMBL808343

C=C(/N=C(N)\N=C(/N)c1noc(N2CCC(O)(c3ccccc3)CC2)n1)N(C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.34
CCR1 P32246 1/20 0.32
OPRL1 P41146 3/20 0.31
SIGMAR1 Q99720 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRK1 P41145 2/20 0.31
KCNA3 P22001 1/20 0.31
OPRD1 P41143 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SCN9A Q15858 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
SCHEMBL808329 0.89 SCD (0.38) SCDOPRL1SIGMAR1OPRM1OPRK1
SCHEMBL808024 0.87 TSHR (0.37) SIGMAR1
SCHEMBL808032 0.83 DHFR (0.34) SCDSIGMAR1
SCHEMBL808232 0.80 CNR2 (0.32) SIGMAR1
SCHEMBL808046 0.77 GAA (0.31)
SCHEMBL808039 0.77 CKS1B (0.33)
SCHEMBL808026 0.72
SCHEMBL807920 0.71 SIGMAR1 (0.33) SIGMAR1
SCHEMBL808333 0.71 NPC1 (0.37) SIGMAR1KDM4EALDH1A1
SCHEMBL807956 0.70 PRCP (0.35) ALDH1A1

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-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed