SCHEMBL8948853

SCHEMBL8948853

CC(C)(C)C1C(OCC(=O)O)CCCN1CC1CN(c2ccc(C#N)cc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.44
HRH3 Q9Y5N1 2/20 0.37
SIGMAR1 Q99720 4/20 0.36
MEN1 O00255 2/20 0.36
F10 P00742 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 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
SCHEMBL8948690 0.91 GRM2 (0.48) GRM2SIGMAR1PPARGPPARDPPARA
SCHEMBL8948659 0.88 GRM2 (0.48) GRM2HRH3SIGMAR1MEN1
SCHEMBL8948544 0.84 GRM2 (0.43) GRM2SIGMAR1MEN1
SCHEMBL8948799 0.82 GRM2 (0.44) GRM2SIGMAR1
SCHEMBL8948624 0.82 GRM2 (0.52) GRM2SIGMAR1
SCHEMBL8948674 0.79 GRM2 (0.46) GRM2SIGMAR1
SCHEMBL8948811 0.78 GRM2 (0.48) GRM2SIGMAR1F10
SCHEMBL8316229 0.78 GRM2 (0.51) GRM2SIGMAR1F10
SCHEMBL8948767 0.78 GRM2 (0.48) GRM2SIGMAR1
SCHEMBL8948841 0.77 GRM2 (0.47) GRM2SIGMAR1

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