SCHEMBL8948799

SCHEMBL8948799

CC(C)(C)C1CC(OCC(=O)O)CCN1CC1CN(c2ccc(C#N)cc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.44
SIGMAR1 Q99720 4/20 0.36
AR P10275 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
SCHEMBL8948703 0.87 SIGMAR1 (0.36) GRM2SIGMAR1
SCHEMBL8948841 0.87 GRM2 (0.47) GRM2SIGMAR1
SCHEMBL8948800 0.85 GRM2 (0.46) GRM2SIGMAR1
SCHEMBL8948884 0.84 GRM2 (0.43) GRM2SIGMAR1
SCHEMBL8948767 0.83 GRM2 (0.48) GRM2SIGMAR1
SCHEMBL8948690 0.82 GRM2 (0.48) GRM2SIGMAR1
SCHEMBL8948853 0.82 GRM2 (0.44) GRM2SIGMAR1
SCHEMBL8948654 0.80 RECQL (0.36) GRM2SIGMAR1
SCHEMBL8948845 0.80 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8948736 0.80 GRM2 (0.48) 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