SCHEMBL8948634

SCHEMBL8948634

CC(C)(C)OC(=O)C1CCCN(CC2CN(c3ccc(C#N)cc3)C(=O)O2)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.47
KDM2B Q8NHM5 2/20 0.42
SIGMAR1 Q99720 10/20 0.41
F10 P00742 2/20 0.41
AR P10275 1/20 0.39

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 0.90 GRM2 (0.49) GRM2SIGMAR1AR
SCHEMBL8948666 0.90 GRM2 (0.49) GRM2SIGMAR1AR
SCHEMBL8948682 0.88 F10 (0.52) GRM2F10
SCHEMBL8453560 0.86 GRM2 (0.46) GRM2SIGMAR1AR
SCHEMBL8948743 0.86 GRM2 (0.50) GRM2KDM2BSIGMAR1F10
SCHEMBL8948811 0.85 GRM2 (0.48) GRM2SIGMAR1F10AR
SCHEMBL8948850 0.84 GRM2 (0.44) GRM2SIGMAR1AR
SCHEMBL8948686 0.83 L3MBTL1 (0.47) GRM2SIGMAR1F10
SCHEMBL8948606 0.82 GRM2 (0.47) GRM2SIGMAR1F10AR
SCHEMBL8948728 0.81 ITGB3 (0.51) GRM2SIGMAR1AR

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