SCHEMBL8948596

SCHEMBL8948596

N#Cc1ccc(N2CC(CN3CCCC(CC(=O)O)C3Cc3ccccc3)OC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.46
SIGMAR1 Q99720 3/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CHRM4 P08173 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
SCHEMBL8948544 0.87 GRM2 (0.43) GRM2SIGMAR1
SCHEMBL8948778 0.82 GRM2 (0.45) GRM2SIGMAR1CHRM4
SCHEMBL8948768 0.80 GRM2 (0.47) GRM2SIGMAR1
SCHEMBL8316229 0.80 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8948620 0.79 L3MBTL1 (0.44) GRM2SIGMAR1
SCHEMBL8948782 0.78 GRM2 (0.47) GRM2SIGMAR1
SCHEMBL8458262 0.78 GRM2 (0.42) GRM2SIGMAR1
SCHEMBL8948659 0.78 GRM2 (0.48) GRM2SIGMAR1HRH3
SCHEMBL8948645 0.77 FKBP1A (0.44) GRM2
SCHEMBL8315766 0.77 GRM2 (0.50) 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