SCHEMBL8948782

SCHEMBL8948782

N#Cc1ccc(N2CC(CN3CCN(CC(=O)O)CC3Cc3ccccc3)OC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.47
SIGMAR1 Q99720 3/20 0.39
POLB P06746 1/20 0.38
NR3C2 P08235 1/20 0.38

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
SCHEMBL8948713 0.88 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8313964 0.83 GRM2 (0.54) GRM2SIGMAR1POLB
SCHEMBL8948778 0.83 GRM2 (0.45) GRM2SIGMAR1NR3C2
SCHEMBL8948736 0.82 GRM2 (0.48) GRM2SIGMAR1POLB
SCHEMBL8948884 0.81 GRM2 (0.43) GRM2SIGMAR1NR3C2
SCHEMBL8313108 0.79 GRM2 (0.46) GRM2SIGMAR1
SCHEMBL8948596 0.78 GRM2 (0.46) GRM2SIGMAR1
SCHEMBL8522619 0.77 GRM2 (0.43) GRM2SIGMAR1POLB
SCHEMBL8948768 0.77 GRM2 (0.47) GRM2SIGMAR1
SCHEMBL8948780 0.77 ITGB3 (0.51) GRM2SIGMAR1POLB

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