SCHEMBL8948652

SCHEMBL8948652

CCC1C(=O)N(CC(=O)O)CCN1CC1CN(c2ccc(C#N)cc2)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.50
SIGMAR1 Q99720 4/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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 0.83 GRM2 (0.51) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8313964 0.78 GRM2 (0.54) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8948736 0.78 GRM2 (0.48) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8948624 0.76 GRM2 (0.52) GRM2SIGMAR1
SCHEMBL8948656 0.76 GRM2 (0.49) GRM2SIGMAR1
SCHEMBL8948782 0.75 GRM2 (0.47) GRM2SIGMAR1
SCHEMBL8948659 0.74 GRM2 (0.48) GRM2SIGMAR1
SCHEMBL8948651 0.74 GRM2 (0.48) GRM2SIGMAR1
SCHEMBL8316229 0.74 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8948841 0.74 GRM2 (0.47) GRM2SIGMAR1ITGB3ITGA2B

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