SCHEMBL8948736

SCHEMBL8948736

CC(C)(C)C1CN(CC(=O)O)CCN1CC1CN(c2ccc(C#N)cc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.48
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
SIGMAR1 Q99720 5/20 0.38
HTR7 P34969 2/20 0.38
POLB P06746 1/20 0.37

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 0.86 GRM2 (0.51) GRM2ITGB3ITGA2BSIGMAR1HTR7
SCHEMBL8313964 0.84 GRM2 (0.54) GRM2ITGB3ITGA2BSIGMAR1POLB
SCHEMBL8948782 0.82 GRM2 (0.47) GRM2SIGMAR1POLB
SCHEMBL8948800 0.82 GRM2 (0.46) GRM2SIGMAR1
SCHEMBL8948799 0.80 GRM2 (0.44) GRM2SIGMAR1
SCHEMBL8948652 0.78 GRM2 (0.50) GRM2ITGB3ITGA2BSIGMAR1
SCHEMBL8948726 0.77 GRM2 (0.52) GRM2ITGB3ITGA2BSIGMAR1HTR7
SCHEMBL8948728 0.77 ITGB3 (0.51) GRM2ITGB3ITGA2BSIGMAR1
SCHEMBL8948690 0.76 GRM2 (0.48) GRM2SIGMAR1
SCHEMBL8948853 0.75 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