SCHEMBL5323873

SCHEMBL5323873

COc1ccc(CN2N=C(C3CCCCC3)c3cc(-c4ccncc4)ccc3N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 10/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE5A O76074 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
APP P05067 1/20 0.36
SNCA P37840 1/20 0.36

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
SCHEMBL5330994 0.92 PTH1R (0.43) PTH1RMAPTHTTPDE4APDE4B
SCHEMBL5323786 0.89 PTH1R (0.45) PTH1RMAPTHTTPDE4APDE4B
SCHEMBL5325577 0.89 PTH1R (0.42) PTH1RMAPTHTTPDE4APDE4B
SCHEMBL5453686 0.88 PTH1R (0.47) PTH1RMAPTHTTPDE4APDE4B
SCHEMBL5327453 0.88 PTH1R (0.45) PTH1RMAPTHTTPDE4APDE4B
SCHEMBL5320380 0.86 PTH1R (0.57) PTH1RMAPTHTTPDE4APDE4B
SCHEMBL5327910 0.81 PTH1R (0.56) PTH1RMAPTPDE4APDE4BPDE4C
SCHEMBL5320943 0.79 PTH1R (0.58) PTH1RPDE4APDE4BPDE4CPDE4D
SCHEMBL5321708 0.77 PTH1R (0.56) PTH1R
SCHEMBL5324664 0.77 PTH1R (0.58) 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