SCHEMBL5324339

SCHEMBL5324339

CC(C)(C)c1csc(CN2N=C(C3CCCCC3)c3ccccc3N(c3ccc([N+](=O)[O-])cc3)C2=O)n1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 12/20 0.48
CCKBR P32239 8/20 0.36
CCKAR P32238 2/20 0.35

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
SCHEMBL5320334 0.82 PTH1R (0.69) PTH1RCCKBR
SCHEMBL5324938 0.81 PTH1R (0.53) PTH1RCCKBRCCKAR
SCHEMBL5320380 0.79 PTH1R (0.57) PTH1RCCKBR
SCHEMBL5322001 0.77 PTH1R (0.57) PTH1RCCKBRCCKAR
SCHEMBL5329909 0.76 PTH1R (0.56) PTH1RCCKBRCCKAR
SCHEMBL5285139 0.75 PTH1R (0.49) PTH1RCCKBRCCKAR
SCHEMBL5321708 0.73 PTH1R (0.56) PTH1R
SCHEMBL5324664 0.73 PTH1R (0.58) PTH1RCCKBR
SCHEMBL5322971 0.72 PTH1R (0.54) PTH1RCCKBR
SCHEMBL5320618 0.72 PTH1R (0.55) 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