SCHEMBL808232

SCHEMBL808232

C=C(/N=C(N)\N=C(/N)c1noc(N2CCC(COCC3CC3)CC2)n1)N(C)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
POLB P06746 1/20 0.31
PTGIR P43119 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL808032 0.86 DHFR (0.34) POLBSIGMAR1
SCHEMBL808024 0.85 TSHR (0.37) SIGMAR1
SCHEMBL10287192 0.83 PTGIR (0.33) PTGIR
SCHEMBL808343 0.80 SCD (0.34) SIGMAR1
SCHEMBL808039 0.80 CKS1B (0.33) POLB
SCHEMBL808329 0.80 SCD (0.38) SIGMAR1
SCHEMBL808026 0.79
SCHEMBL808159 0.78 ACHE (0.31)
SCHEMBL808046 0.77 GAA (0.31)
SCHEMBL10287297 0.76 ACACB (0.36) CNR2

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