SCHEMBL5376690

SCHEMBL5376690

CC(C)N1N=C(C2CCCCC2)c2ccc(OCc3ccccc3)cc2N(c2ccc(CC3=NCCN3)cc2)C1=O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 19/20 0.74
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL5343741 0.90 PTH1R (0.80) PTH1R
SCHEMBL5324368 0.88 PTH1R (0.67) PTH1R
SCHEMBL5362367 0.86 PTH1R (0.84) PTH1R
SCHEMBL14386442 0.85 PTH1R (0.83) PTH1R
SCHEMBL5328196 0.85 PTH1R (0.52) PTH1R
SCHEMBL5363635 0.85 PTH1R (0.82) PTH1R
SCHEMBL5355799 0.84 PTH1R (0.98) PTH1R
SCHEMBL5369142 0.83 PTH1R (0.79) PTH1R
SCHEMBL5367699 0.83 PTH1R (0.76) PTH1R
SCHEMBL5368169 0.82 PTH1R (0.69) 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-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed