SCHEMBL5319962

SCHEMBL5319962

Nc1ccc(N2C(=O)N(Cc3ccc4ccccc4c3)N=C(C3CCCCC3)c3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 14/20 0.62
CCKBR P32239 5/20 0.41
CCKAR P32238 2/20 0.37

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
SCHEMBL5280948 0.89 PTH1R (0.76) PTH1RCCKBRCCKAR
SCHEMBL5319569 0.83 PTH1R (0.61) PTH1RCCKBRCCKAR
SCHEMBL5278951 0.82 PTH1R (0.62) PTH1RCCKBRCCKAR
SCHEMBL5321443 0.82 PTH1R (0.64) PTH1RCCKBRCCKAR
SCHEMBL5326611 0.81 PTH1R (0.58) PTH1RCCKBRCCKAR
SCHEMBL5323705 0.80 PTH1R (0.79) PTH1R
SCHEMBL5320402 0.80 PTH1R (0.62) PTH1RCCKBR
SCHEMBL5321695 0.79 PTH1R (0.44) PTH1RCCKBR
SCHEMBL5321698 0.79 PTH1R (0.44) PTH1RCCKBR
SCHEMBL5323408 0.79 PTH1R (0.57) 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