SCHEMBL5026080

SCHEMBL5026080

CS(=O)(=O)c1ccc(-c2ccc([N+]3(C4CCNCC4)CCCCC3)nn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.37
PTGS1 P23219 8/20 0.37
PLAT P00750 1/20 0.35
PSD A5PKW4 1/20 0.34
ATR Q13535 1/20 0.33

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
SCHEMBL5026112 0.81 MKNK2 (0.39)
SCHEMBL5136443 0.70 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL5084438 0.70 PLAT (0.36) PTGS2PTGS1PLAT
SCHEMBL4790571 0.69 KMT2A (0.45)
SCHEMBL385101 0.64 GPR183 (0.58) PTGS2PTGS1
SCHEMBL4971991 0.63 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL387949 0.63 GPR119 (0.46) PTGS2PTGS1PLAT
Hydrochloric Acid SCHEMBL387557 0.63 GPR183 (0.57) PTGS2PTGS1
Hydrochloric Acid SCHEMBL15540179 0.63 GPR183 (0.57) PTGS2PTGS1
SCHEMBL5079994 0.62 RORC (0.41) PLAT

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
EP-1902028-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS Novo Nordisk A/S (DK) 2008-03-26 EP disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 WO disclosed