SCHEMBL8948884

SCHEMBL8948884

N#Cc1ccc(N2CC(CN3CCC(OCC(=O)O)CC3Cc3ccccc3)OC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.43
SIGMAR1 Q99720 2/20 0.37
NR3C2 P08235 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL8948841 0.89 GRM2 (0.47) GRM2SIGMAR1
SCHEMBL8948778 0.86 GRM2 (0.45) GRM2SIGMAR1NR3C2
SCHEMBL8948799 0.84 GRM2 (0.44) GRM2SIGMAR1
SCHEMBL8948768 0.82 GRM2 (0.47) GRM2SIGMAR1
SCHEMBL8948544 0.82 GRM2 (0.43) GRM2SIGMAR1
SCHEMBL8948767 0.82 GRM2 (0.48) GRM2SIGMAR1
SCHEMBL8948782 0.81 GRM2 (0.47) GRM2SIGMAR1NR3C2
SCHEMBL8948792 0.79 L3MBTL1 (0.41) GRM2SIGMAR1
SCHEMBL8948845 0.79 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8948674 0.78 GRM2 (0.46) 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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed