SCHEMBL5494976

SCHEMBL5494976

O=C1N(Cc2ccccc2-c2ccccc2)N=C(C2CCCCC2)c2ccccc2N1c1ccc(NC2=NCCN2)cc1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 17/20 0.84
CCKBR P32239 1/20 0.38
PTGIR P43119 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL5320787 0.91 PTH1R (1.00) PTH1RCCKBRPTGIR
SCHEMBL14566393 0.91 PTH1R (0.79) PTH1R
SCHEMBL5329868 0.90 PTH1R (0.85) PTH1RCCKBR
SCHEMBL5323795 0.90 PTH1R (0.79) PTH1RCCKBRPTGIR
SCHEMBL14566320 0.88 PTH1R (0.77) PTH1RCCKBRPTGIR
SCHEMBL14566415 0.87 PTH1R (0.92) PTH1RCCKBR
SCHEMBL5320137 0.87 PTH1R (0.72) PTH1RCCKBR
SCHEMBL5278951 0.82 PTH1R (0.62) PTH1RCCKBR
SCHEMBL5325535 0.81 PTH1R (0.66) PTH1RCCKBR
SCHEMBL5330952 0.81 PTH1R (0.61) PTH1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed