SCHEMBL5328340

SCHEMBL5328340

COc1ccc2c(c1)N(c1ccc([N+](=O)[O-])cc1)C(=O)N(C(C)C)N=C2C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 13/20 0.50
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CRHBP P24387 1/20 0.38
GFER P55789 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL5284221 0.87 PTH1R (0.53) PTH1R
SCHEMBL5344822 0.86 PTH1R (0.53) PTH1R
SCHEMBL5343741 0.79 PTH1R (0.80) PTH1R
SCHEMBL5355993 0.76 PTH1R (0.53) PTH1RMEN1KMT2AALDH1A1
SCHEMBL5320380 0.75 PTH1R (0.57) PTH1RMEN1KMT2AMAPTGAA
SCHEMBL5322629 0.75 PTH1R (0.63) PTH1R
SCHEMBL5320662 0.75 PTH1R (0.54) PTH1RMEN1KMT2AMAPTALDH1A1
SCHEMBL5328105 0.75 PTH1R (0.54) PTH1RMEN1KMT2AMAPTALDH1A1
SCHEMBL5343663 0.73 PTH1R (0.62) PTH1R
SCHEMBL5328196 0.73 PTH1R (0.52) 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