SCHEMBL16093350

SCHEMBL16093350

CC(=O)OC[C@H]1CN(c2ccc(CCN)cc2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.47
MAOA P21397 1/20 0.42
F10 P00742 2/20 0.42

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
SCHEMBL19941047 1.00 GRM2 (0.47) GRM2MAOAF10
SCHEMBL19938072 0.89 GRM2 (0.51) GRM2
SCHEMBL12939662 0.86 GRM2 (0.46) GRM2F10
SCHEMBL14270038 0.86 GRM2 (0.46) GRM2F10
SCHEMBL9969453 0.86 GRM2 (0.46) GRM2F10
SCHEMBL14270222 0.84 GRM2 (0.43) GRM2F10
SCHEMBL16788839 0.84 GRM2 (0.43) GRM2F10
SCHEMBL16092980 0.84 GRM2 (0.43) GRM2F10
SCHEMBL4952331 0.83 GRM2 (0.49) GRM2
SCHEMBL3328310 0.83 GRM2 (0.65) GRM2

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-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed