SCHEMBL5355799

SCHEMBL5355799

CC(C)N1N=C(C2CCCC2)c2ccc(Cl)cc2N(c2ccc(CC3=NCCN3)cc2)C1=O

nearest known ligand 0.98

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 19/20 0.98
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL5363635 0.91 PTH1R (0.82) PTH1RHTR1DHTR1B
SCHEMBL5362367 0.90 PTH1R (0.84) PTH1RHTR1DHTR1B
SCHEMBL14386442 0.90 PTH1R (0.83) PTH1RHTR1DHTR1B
SCHEMBL5343741 0.88 PTH1R (0.80) PTH1RHTR1DHTR1B
SCHEMBL5369142 0.88 PTH1R (0.79) PTH1RHTR1DHTR1B
SCHEMBL5367699 0.86 PTH1R (0.76) PTH1RHTR1DHTR1B
SCHEMBL5376690 0.84 PTH1R (0.74) PTH1R
SCHEMBL5492418 0.84 PTH1R (0.72) PTH1RHTR1DHTR1B
SCHEMBL5357422 0.83 PTH1R (0.71) PTH1R
SCHEMBL5473505 0.83 PTH1R (0.70) PTH1RHTR1DHTR1B

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