SCHEMBL5320380

SCHEMBL5320380

COc1ccc(CN2N=C(C3CCCCC3)c3ccccc3N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 11/20 0.57
MAPT P10636 4/20 0.47
APP P05067 2/20 0.47
SNCA P37840 2/20 0.47
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
HTT P42858 1/20 0.41
CCKBR P32239 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL5320334 0.90 PTH1R (0.69) PTH1RMAPTAPPSNCACCKBR
SCHEMBL5453686 0.90 PTH1R (0.47) PTH1RMAPTAPPSNCAPDE4A
SCHEMBL5327453 0.89 PTH1R (0.45) PTH1RMAPTAPPSNCAPDE4A
SCHEMBL5323873 0.86 PTH1R (0.43) PTH1RMAPTAPPSNCAPDE4A
SCHEMBL5323786 0.86 PTH1R (0.45) PTH1RMAPTPDE4APDE4BPDE4C
SCHEMBL5330994 0.86 PTH1R (0.43) PTH1RMAPTPDE4APDE4BPDE4C
SCHEMBL5325577 0.84 PTH1R (0.42) PTH1RMAPTAPPSNCAPDE4A
SCHEMBL5324938 0.82 PTH1R (0.53) PTH1RCCKBR
SCHEMBL5320618 0.82 PTH1R (0.55) PTH1RMAPTAPPSNCACCKBR
SCHEMBL5321708 0.81 PTH1R (0.56) 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 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