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SCHEMBL5320526

SCHEMBL5320526

CC(C)(C)OC(=O)NC(=Nc1ccc(N2C(=O)N(C(=O)OC(C)(C)C)N=C(C3CCCCC3)c3c(CN)cccc32)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 8/20 0.39
▸ NPFFR1 Q9GZQ6 2/20 0.31
▸ NPFFR2 Q9Y5X5 2/20 0.31
▸ CCKBR P32239 1/20 0.31

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
SCHEMBL5323574 0.64 PTH1R (0.73) PTH1RCCKBR
SCHEMBL5278847 0.64 PTH1R (0.73) PTH1RCCKBR
SCHEMBL5280274 0.63 PTH1R (0.65) PTH1RCCKBR
SCHEMBL5329584 0.61 PTH1R (0.62) PTH1RCCKBR
SCHEMBL5406423 0.61 PTH1R (0.57) PTH1RCCKBR
SCHEMBL5325405 0.61 PTH1R (0.57) PTH1RCCKBR
SCHEMBL7043632 0.59 NPFFR1 (0.47) NPFFR1NPFFR2
SCHEMBL5324448 0.58 PTH1R (0.73) PTH1RCCKBR
SCHEMBL3804463 0.57 NPFFR1 (0.46) NPFFR1NPFFR2
SCHEMBL4882935 0.57 NPFFR1 (0.41) NPFFR1NPFFR2

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