SCHEMBL8480903

SCHEMBL8480903

CCC(O)Oc1cc(C)cc(OS(=O)(=O)c2cccc(C#N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.42
P2RY2 P41231 1/20 0.42
GPR17 Q13304 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.37
CNR2 P34972 1/20 0.36
PGR P06401 1/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL8476248 0.86 F2 (0.51) F2GPR17
SCHEMBL8482545 0.83 F2 (0.44) F2GPR17
SCHEMBL8481772 0.83 F2 (0.54) F2
SCHEMBL8479180 0.83 F2 (0.44) F2P2RY2GPR17
SCHEMBL8484049 0.82 P2RY2 (0.41) F2P2RY2GPR17CNR2PGR
SCHEMBL5675825 0.80 P2RY2 (0.47) F2P2RY2GPR17PGRTBXA2R
SCHEMBL8480896 0.79 F2 (0.53) F2P2RY2GPR17
SCHEMBL8481189 0.79 F2 (0.57) F2
SCHEMBL8479866 0.79 P2RY2 (0.46) F2P2RY2GPR17CNR2PGR
SCHEMBL8480407 0.78 F2 (0.54) F2

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
US-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed