SCHEMBL8948544

SCHEMBL8948544

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.43
SIGMAR1 Q99720 2/20 0.37
CPT1A P50416 1/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL8948768 0.91 GRM2 (0.47) GRM2SIGMAR1
SCHEMBL8948659 0.90 GRM2 (0.48) GRM2SIGMAR1MEN1
SCHEMBL8948596 0.87 GRM2 (0.46) GRM2SIGMAR1
SCHEMBL8948853 0.84 GRM2 (0.44) GRM2SIGMAR1MEN1
SCHEMBL8948884 0.82 GRM2 (0.43) GRM2SIGMAR1
SCHEMBL8948624 0.80 GRM2 (0.52) GRM2SIGMAR1
SCHEMBL8948620 0.78 L3MBTL1 (0.44) GRM2SIGMAR1L3MBTL1
SCHEMBL8948674 0.78 GRM2 (0.46) GRM2SIGMAR1
SCHEMBL8948690 0.77 GRM2 (0.48) GRM2SIGMAR1
SCHEMBL8458262 0.77 GRM2 (0.42) GRM2SIGMAR1L3MBTL1

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