SCHEMBL8948674

SCHEMBL8948674

N#Cc1ccc(N2CC(CN3CCCC(OCC(=O)O)C3)OC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.46
SIGMAR1 Q99720 15/20 0.41
DRD4 P21917 1/20 0.41
TMEM97 Q5BJF2 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
SCHEMBL8948845 0.90 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8948767 0.90 GRM2 (0.48) GRM2SIGMAR1
SCHEMBL8453566 0.89 GRM2 (0.48) GRM2SIGMAR1DRD4TMEM97
SCHEMBL8948657 0.89 GRM2 (0.47) GRM2SIGMAR1DRD4TMEM97
SCHEMBL8948850 0.88 GRM2 (0.44) GRM2SIGMAR1DRD4TMEM97
SCHEMBL8948542 0.87 SIGMAR1 (0.41) GRM2SIGMAR1DRD4TMEM97
SCHEMBL8948593 0.86 SIGMAR1 (0.41) GRM2SIGMAR1
SCHEMBL8948609 0.84 ITGB3 (0.48) SIGMAR1
SCHEMBL8948743 0.84 GRM2 (0.50) GRM2SIGMAR1
SCHEMBL8446291 0.83 GRM2 (0.48) GRM2SIGMAR1DRD4TMEM97

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