SCHEMBL5323541

SCHEMBL5323541

CC1(C)CC(N2N=C(C3CCCCC3)c3ccccc3N(c3ccc(NCc4ncc[nH]4)cc3)C2=O)CC(C)(C)O1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 20/20 0.60

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
SCHEMBL5323537 0.86 PTH1R (0.72) PTH1R
SCHEMBL5328795 0.81 PTH1R (0.87) PTH1R
SCHEMBL5326134 0.81 PTH1R (0.61) PTH1R
SCHEMBL5324138 0.81 PTH1R (0.45) PTH1R
SCHEMBL5326039 0.80 PTH1R (0.87) PTH1R
SCHEMBL5330952 0.78 PTH1R (0.61) PTH1R
SCHEMBL5323015 0.78 PTH1R (0.77) PTH1R
SCHEMBL5323076 0.78 PTH1R (0.72) PTH1R
SCHEMBL5330753 0.77 PTH1R (0.70) PTH1R
SCHEMBL5413751 0.76 PTH1R (0.68) 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