SCHEMBL8948726

SCHEMBL8948726

N#Cc1ccc(N2C[C@H](CN3CCN(CCC(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.52
SIGMAR1 Q99720 14/20 0.45
HTR7 P34969 3/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL8313964 0.89 GRM2 (0.54) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8453773 0.88 GRM2 (0.51) GRM2SIGMAR1HTR7ITGB3ITGA2B
SCHEMBL8455801 0.86 ITGB3 (0.54) GRM2SIGMAR1HTR7ITGB3ITGA2B
SCHEMBL8453538 0.85 SIGMAR1 (0.45) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8948759 0.85 SIGMAR1 (0.45) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8449438 0.85 SIGMAR1 (0.45) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8310660 0.84 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8948494 0.84 GRM2 (0.53) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8948618 0.84 GRM2 (0.53) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8311049 0.84 GRM2 (0.53) 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