SCHEMBL5325535

SCHEMBL5325535

NC(=S)Nc1ccc(N2C(=O)N(Cc3ccccc3-c3ccccc3)N=C(C3CCCCC3)c3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 12/20 0.66
CCKBR P32239 8/20 0.42
CCKAR P32238 4/20 0.41

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
SCHEMBL5322281 0.88 PTH1R (0.70) PTH1RCCKBRCCKAR
SCHEMBL5324848 0.87 PTH1R (0.74) PTH1RCCKBRCCKAR
SCHEMBL14566437 0.87 PTH1R (0.69) PTH1RCCKBRCCKAR
SCHEMBL5278951 0.86 PTH1R (0.62) PTH1RCCKBRCCKAR
SCHEMBL5323646 0.85 PTH1R (0.67) PTH1RCCKBRCCKAR
SCHEMBL14566460 0.84 PTH1R (0.63) PTH1RCCKBRCCKAR
SCHEMBL5329008 0.84 PTH1R (0.69) PTH1RCCKBRCCKAR
SCHEMBL5329011 0.84 PTH1R (0.69) PTH1RCCKBRCCKAR
SCHEMBL5320304 0.83 PTH1R (0.81) PTH1RCCKBRCCKAR
SCHEMBL5325542 0.83 PTH1R (0.59) PTH1RCCKBRCCKAR

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