SCHEMBL5329302

SCHEMBL5329302

Cc1ccc2c(c1)N(c1ccc([N+](=O)[O-])cc1)C(=O)N(C(=O)C1CCCCCCCCCC1)N=C2C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 17/20 0.49
KMT2A Q03164 1/20 0.38
NPBWR1 P48145 2/20 0.37
MCHR1 Q99705 2/20 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
SCHEMBL5321308 0.87 PTH1R (0.54) PTH1R
SCHEMBL5326346 0.87 PTH1R (0.54) PTH1R
SCHEMBL5328105 0.84 PTH1R (0.54) PTH1RKMT2A
SCHEMBL5320662 0.84 PTH1R (0.54) PTH1RKMT2A
SCHEMBL5319870 0.83 PTH1R (0.60) PTH1RKMT2A
SCHEMBL5326447 0.80 PTH1R (0.52) PTH1R
SCHEMBL5328008 0.79 PTH1R (0.47) PTH1R
SCHEMBL5320370 0.78 PTH1R (0.48) PTH1R
SCHEMBL5322320 0.76 PTH1R (0.50) PTH1RKMT2A
SCHEMBL5355993 0.73 PTH1R (0.53) PTH1RKMT2A

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