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Sugi Predict / Compounds / SCHEMBL5320516

SCHEMBL5320516

SCHEMBL5320516

CC(C)(C)OC(=O)NCN1N=C(C2CCCCC2)c2ccccc2N(c2ccc(N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 9/20 0.55
▸ CCKBR P32239 11/20 0.39
▸ CCKAR P32238 5/20 0.39

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
SCHEMBL5285926 0.90 PTH1R (0.69) PTH1RCCKBRCCKAR
SCHEMBL5324847 0.81 PTH1R (0.56) PTH1RCCKBRCCKAR
SCHEMBL5320256 0.78 PTH1R (0.65) PTH1RCCKBRCCKAR
SCHEMBL5324692 0.77 PTH1R (0.49) PTH1RCCKBRCCKAR
SCHEMBL5324448 0.76 PTH1R (0.73) PTH1RCCKBRCCKAR
SCHEMBL5323574 0.76 PTH1R (0.73) PTH1RCCKBRCCKAR
SCHEMBL5278847 0.76 PTH1R (0.73) PTH1RCCKBRCCKAR
SCHEMBL5320526 0.75 PTH1R (0.39) PTH1RCCKBR
SCHEMBL5325405 0.74 PTH1R (0.57) PTH1RCCKBRCCKAR
SCHEMBL5280274 0.74 PTH1R (0.65) 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