SCHEMBL5328591

SCHEMBL5328591

CNCCNc1ccc(N2C(=O)N(C3CCOCC3)N=C(C3CCCCC3)c3cc(F)c(C)cc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 20/20 0.61

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
SCHEMBL5326376 0.89 PTH1R (0.76) PTH1R
SCHEMBL5330887 0.86 PTH1R (0.53) PTH1R
SCHEMBL5323265 0.83 PTH1R (0.51) PTH1R
SCHEMBL5324742 0.83 PTH1R (0.74) PTH1R
SCHEMBL5320192 0.83 PTH1R (0.76) PTH1R
SCHEMBL5333532 0.81 PTH1R (0.74) PTH1R
SCHEMBL5324772 0.79 PTH1R (0.73) PTH1R
SCHEMBL5327136 0.77 PTH1R (0.72) PTH1R
SCHEMBL5327360 0.76 PTH1R (0.69) PTH1R
SCHEMBL5321680 0.76 PTH1R (1.00) 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 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