SCHEMBL8948666

SCHEMBL8948666

CC(C)(C)OC(=O)C1CCN(CC2CN(c3ccc(C#N)cc3)C(=O)O2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.49
SIGMAR1 Q99720 15/20 0.45
AR P10275 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL8948671 1.00 GRM2 (0.49) GRM2SIGMAR1ARITGB3ITGA2B
SCHEMBL8948634 0.90 GRM2 (0.47) GRM2SIGMAR1AR
SCHEMBL8948623 0.88 SIGMAR1 (0.48) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8948784 0.88 GRM2 (0.53) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8948675 0.88 GRM2 (0.53) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8448374 0.87 GRM2 (0.48) GRM2SIGMAR1ARITGB3ITGA2B
SCHEMBL8948796 0.87 GRM2 (0.48) GRM2SIGMAR1ARITGB3ITGA2B
SCHEMBL8458494 0.87 GRM2 (0.48) GRM2SIGMAR1ARITGB3ITGA2B
SCHEMBL8948804 0.86 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2B
SCHEMBL8948728 0.86 ITGB3 (0.51) GRM2SIGMAR1ARITGB3ITGA2B

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