SCHEMBL9409332

SCHEMBL9409332

N#Cc1ccc(N2CC(CN3CCC(O)CC3)OC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.56
SIGMAR1 Q99720 17/20 0.47
USP5 P45974 1/20 0.43
USP14 P54578 1/20 0.43
USP7 Q93009 1/20 0.43

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
SCHEMBL9409330 0.91 GRM2 (0.58) GRM2SIGMAR1
SCHEMBL8948618 0.88 GRM2 (0.53) GRM2SIGMAR1
SCHEMBL8311049 0.88 GRM2 (0.53) GRM2SIGMAR1
SCHEMBL8948494 0.88 GRM2 (0.53) GRM2SIGMAR1
SCHEMBL8310660 0.86 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8313964 0.84 GRM2 (0.54) GRM2SIGMAR1
SCHEMBL8948770 0.84 GRM2 (0.52) GRM2SIGMAR1
SCHEMBL8948767 0.83 GRM2 (0.48) GRM2SIGMAR1
SCHEMBL8948784 0.82 GRM2 (0.53) GRM2SIGMAR1
SCHEMBL8948675 0.82 GRM2 (0.53) GRM2SIGMAR1

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
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed