SCHEMBL5326595

SCHEMBL5326595

CC1(C)CC(N2N=C(C3CCCCC3)c3ccccc3N(c3cccc(N)c3)C2=O)CC(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 10/20 0.47
CCKBR P32239 9/20 0.42
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CCKAR P32238 2/20 0.34

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
SCHEMBL5322623 0.81 PTH1R (0.51) PTH1RCCKBR
SCHEMBL5320612 0.80 PTH1R (0.50) PTH1R
SCHEMBL5324138 0.80 PTH1R (0.45) PTH1RCCKBR
SCHEMBL5325603 0.80 PTH1R (0.48) PTH1R
SCHEMBL5325717 0.79 PTH1R (0.38) PTH1RCCKBR
SCHEMBL5323921 0.79 PTH1R (0.35) PTH1RCCKBR
SCHEMBL5322987 0.78 PTH1R (0.42) PTH1R
SCHEMBL5323824 0.78 PTH1R (0.49) PTH1R
SCHEMBL5320208 0.78 PTH1R (0.52) PTH1RCCKBR
SCHEMBL5325682 0.78 PTH1R (0.52) 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