SCHEMBL16319654

SCHEMBL16319654

O=C1N[C@H](c2cc(C=Cc3ccccc3)ccn2)[C@@H](c2ccccc2)O1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.63
IP6K1 Q92551 3/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPKAPK2 P49137 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
SCHEMBL5021198 0.81 GRM5 (0.67) GRM5
SCHEMBL5021197 0.81 GRM5 (0.67) GRM5
SCHEMBL4538746 0.81 GRM5 (0.67) GRM5
SCHEMBL4543767 0.78 GRM5 (1.00) GRM5
SCHEMBL16319444 0.78 GRM5 (1.00) GRM5
SCHEMBL4543775 0.78 GRM5 (1.00) GRM5
SCHEMBL16319653 0.77 GRM5 (0.62) GRM5
SCHEMBL5021995 0.74 GRM5 (0.64) GRM5
SCHEMBL5021738 0.73 GRM5 (0.58) GRM5
SCHEMBL5021741 0.73 GRM5 (0.58) GRM5

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
EP-2638022-B1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed