SCHEMBL5366388

SCHEMBL5366388

Cc1ccc2c(c1)N(c1ccc([N+](=O)[O-])cn1)C(=O)N(C1CCOCC1)N=C2C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 15/20 0.54
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5351792 0.87 PTH1R (0.56) PTH1R
SCHEMBL5480267 0.87 PTH1R (0.58) PTH1R
SCHEMBL5347247 0.85 PTH1R (0.57) PTH1R
SCHEMBL5457948 0.85 PTH1R (0.56) PTH1R
SCHEMBL5352872 0.83 PTH1R (0.55) PTH1R
SCHEMBL5348222 0.83 PTH1R (0.54) PTH1RALDH1A1NPSR1
SCHEMBL5320662 0.82 PTH1R (0.54) PTH1RMEN1KMT2AALDH1A1MAPT
SCHEMBL5328105 0.82 PTH1R (0.54) PTH1RMEN1KMT2AALDH1A1MAPT
SCHEMBL5359898 0.81 PTH1R (0.64) PTH1R
SCHEMBL5355230 0.80 PTH1R (0.68) 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-2007135350-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed