SCHEMBL8948841

SCHEMBL8948841

CCC1CC(OCC(=O)O)CCN1CC1CN(c2ccc(C#N)cc2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.47
SIGMAR1 Q99720 4/20 0.36
ITGB3 P05106 1/20 0.34
ITGA2B P08514 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
SCHEMBL8948884 0.89 GRM2 (0.43) GRM2SIGMAR1
SCHEMBL8948799 0.87 GRM2 (0.44) GRM2SIGMAR1
SCHEMBL8948656 0.85 GRM2 (0.49) GRM2SIGMAR1
SCHEMBL8948767 0.84 GRM2 (0.48) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8948624 0.82 GRM2 (0.52) GRM2SIGMAR1
SCHEMBL8948659 0.82 GRM2 (0.48) GRM2SIGMAR1
SCHEMBL8948845 0.81 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8948674 0.80 GRM2 (0.46) GRM2SIGMAR1
SCHEMBL8948713 0.80 GRM2 (0.51) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8948853 0.77 GRM2 (0.44) 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