SCHEMBL4429656

SCHEMBL4429656

CCN(C)C=Nc1cc(C)c(Oc2cccc(C(O)Cc3ccccc3)c2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.34
ACHE P22303 8/20 0.34
AOC3 Q16853 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
FFAR1 O14842 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
NPY5R Q15761 1/20 0.31

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
SCHEMBL2982765 0.89 PTGS1 (0.32) BCHEACHEAOC3NPY5R
SCHEMBL2982768 0.89 PTGS1 (0.32) BCHEACHEAOC3NPY5R
SCHEMBL4433892 0.89 AOC3 (0.34) BCHEACHEAOC3MTNR1AMTNR1B
SCHEMBL2988795 0.88 AOC3 (0.34) BCHEACHEAOC3
SCHEMBL2988799 0.88 AOC3 (0.34) BCHEACHEAOC3
SCHEMBL2981278 0.87 BCHE (0.34) BCHEACHEAOC3
SCHEMBL2981276 0.87 BCHE (0.34) BCHEACHEAOC3
SCHEMBL2982797 0.86 AOC3 (0.33) AOC3
SCHEMBL2982795 0.86 AOC3 (0.33) AOC3
SCHEMBL2978775 0.86 BCHE (0.33) BCHEACHEAOC3NPY5R

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-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed