SCHEMBL5327043

SCHEMBL5327043

N=C(N)Nc1ccc(N2C(=O)N(Cc3ccccc3)N=C(C3CCCCC3)c3cc(N4CCCC4=O)ccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 14/20 0.62
CCKBR P32239 4/20 0.37
F10 P00742 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14566318 0.87 PTH1R (0.69) PTH1RCCKBR
SCHEMBL5320304 0.86 PTH1R (0.81) PTH1RCCKBR
SCHEMBL5324375 0.86 PTH1R (0.66) PTH1RCCKBR
SCHEMBL5322596 0.85 PTH1R (0.67) PTH1RCCKBR
SCHEMBL5320657 0.85 PTH1R (0.64) PTH1RCCKBR
SCHEMBL5330470 0.83 PTH1R (0.64) PTH1RCCKBR
SCHEMBL5331872 0.82 PTH1R (0.78) PTH1R
SCHEMBL14566510 0.82 PTH1R (0.70) PTH1RCCKBR
SCHEMBL5496019 0.80 PTH1R (0.72) PTH1RCCKBR
SCHEMBL5323417 0.80 PTH1R (0.68) PTH1RCCKBR

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
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