SCHEMBL3802097

SCHEMBL3802097

N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1.O=C(O)c1ccno1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.42
DPP4 P27487 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL3717173 0.90 GRM5 (0.47) GRM5
SCHEMBL1907392 0.90 GRM5 (0.47) GRM5
SCHEMBL3276812 0.84 GRM5 (0.49) GRM5
SCHEMBL1899368 0.84 GRM5 (0.49) GRM5
SCHEMBL4565316 0.83 GRM5 (0.42) GRM5
SCHEMBL992077 0.81 GRM5 (0.44) GRM5
SCHEMBL990212 0.81 GRM5 (0.44) GRM5
SCHEMBL14734735 0.80 GRM5 (0.44) GRM5
SCHEMBL2839746 0.79 GRM5 (0.43) GRM5
SCHEMBL2842438 0.79 GRM5 (0.43) GRM5

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-2010000763-A2 COMBINATION PRODUCTS NOVARTIS AG (CH) 2010-01-07 WO disclosed