SCHEMBL5323544

SCHEMBL5323544

Nc1ccc(N2C(=O)N(C3C4CCCC3CCC4)N=C(C3CCCCC3)c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 18/20 0.49
CCKBR P32239 2/20 0.38

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
SCHEMBL5320173 0.88 PTH1R (0.52) PTH1RCCKBR
SCHEMBL5325682 0.88 PTH1R (0.52) PTH1RCCKBR
SCHEMBL5320208 0.88 PTH1R (0.52) PTH1RCCKBR
SCHEMBL5321548 0.88 PTH1R (0.52) PTH1RCCKBR
SCHEMBL5323414 0.82 PTH1R (0.47) PTH1RCCKBR
SCHEMBL5326089 0.82 PTH1R (0.49) PTH1RCCKBR
SCHEMBL5403035 0.81 PTH1R (0.46) PTH1RCCKBR
SCHEMBL5403042 0.81 PTH1R (0.46) PTH1RCCKBR
SCHEMBL5324138 0.81 PTH1R (0.45) PTH1RCCKBR
SCHEMBL5322462 0.81 PTH1R (0.47) PTH1RCCKBR

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