SCHEMBL5352717

SCHEMBL5352717

Cc1ccc2c(c1)N(c1ccc(CCCC#N)cc1)C(=O)N(C1CCOCC1)N=C2C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 20/20 0.61

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
SCHEMBL5347752 0.95 PTH1R (0.63) PTH1R
SCHEMBL5357760 0.90 PTH1R (0.64) PTH1R
SCHEMBL5368232 0.90 PTH1R (0.64) PTH1R
SCHEMBL5326537 0.86 PTH1R (0.64) PTH1R
SCHEMBL5351239 0.86 PTH1R (0.65) PTH1R
SCHEMBL5356088 0.86 PTH1R (0.65) PTH1R
SCHEMBL5320230 0.83 PTH1R (0.65) PTH1R
SCHEMBL5324360 0.83 PTH1R (0.65) PTH1R
SCHEMBL5357956 0.83 PTH1R (0.81) PTH1R
SCHEMBL5320888 0.83 PTH1R (0.60) PTH1R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed