SCHEMBL8948778

SCHEMBL8948778

N#Cc1ccc(N2CC(CN3CCC(CC(=O)O)CC3Cc3ccccc3)OC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.45
CHRM4 P08173 3/20 0.38
NR3C2 P08235 1/20 0.37
CHRM2 P08172 1/20 0.37
CCR3 P51677 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
MGLL Q99685 1/20 0.35

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
SCHEMBL8948656 0.89 GRM2 (0.49) GRM2SIGMAR1
SCHEMBL8948884 0.86 GRM2 (0.43) GRM2NR3C2SIGMAR1
SCHEMBL8948800 0.83 GRM2 (0.46) GRM2CHRM4SIGMAR1
SCHEMBL8948782 0.83 GRM2 (0.47) GRM2NR3C2SIGMAR1
SCHEMBL8948596 0.82 GRM2 (0.46) GRM2CHRM4SIGMAR1
SCHEMBL8310660 0.81 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8948792 0.79 L3MBTL1 (0.41) GRM2CHRM4SIGMAR1
SCHEMBL8948544 0.76 GRM2 (0.43) GRM2SIGMAR1
SCHEMBL8948768 0.76 GRM2 (0.47) GRM2SIGMAR1
SCHEMBL8948773 0.75 SIGMAR1 (0.44) GRM2CHRM4CHRM2SIGMAR1

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