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SCHEMBL5324210

SCHEMBL5324210

Nc1ccc(N2C(=O)N(Cc3ccccc3)N=C(C3CCCCC3)c3cc(-c4cccc(O)c4)ccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 14/20 0.59
▸ CCKBR P32239 4/20 0.38
▸ CCKAR P32238 2/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 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
SCHEMBL5323908 0.90 PTH1R (0.60) PTH1RCCKBRPDE4APDE4BPDE4C
SCHEMBL5324949 0.89 PTH1R (0.57) PTH1R
SCHEMBL5320943 0.88 PTH1R (0.58) PTH1RPDE4APDE4BPDE4CPDE4D
SCHEMBL5322494 0.86 PTH1R (0.56) PTH1RPDE4APDE4BPDE4CPDE4D
SCHEMBL5329426 0.86 PTH1R (0.60) PTH1RCCKBRPDE4APDE4BPDE4C
SCHEMBL14566462 0.85 PTH1R (0.78) PTH1RCCKBRCCKAR
SCHEMBL5320402 0.85 PTH1R (0.62) PTH1RCCKBR
SCHEMBL5280948 0.84 PTH1R (0.76) PTH1RCCKBRCCKAR
SCHEMBL5326340 0.81 PTH1R (0.57) PTH1RCCKBR
SCHEMBL5323786 0.81 PTH1R (0.45) PTH1RPDE4APDE4BPDE4CPDE4D

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