SCHEMBL19192049

SCHEMBL19192049

CN[C@@]12CCC[C@@](NC(=O)c3cccc(C)n3)(CC1)C2

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.76
FPR2 P25090 10/20 0.76
P2RX7 Q99572 1/20 0.48

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
SCHEMBL19192348 1.00 GRM5 (0.76) GRM5FPR2P2RX7
SCHEMBL10151945 0.95 GRM5 (0.83) GRM5FPR2P2RX7
SCHEMBL11028474 0.88 GRM5 (0.78) GRM5FPR2P2RX7
SCHEMBL11942897 0.88 GRM5 (0.78) GRM5FPR2P2RX7
SCHEMBL19195096 0.88 GRM5 (0.78) GRM5FPR2P2RX7
SCHEMBL11028198 0.86 GRM5 (0.72) GRM5FPR2P2RX7
SCHEMBL19192188 0.86 GRM5 (0.83) GRM5FPR2P2RX7
SCHEMBL11942892 0.86 GRM5 (1.00) GRM5FPR2
SCHEMBL11942902 0.86 GRM5 (0.72) GRM5FPR2P2RX7
SCHEMBL9960538 0.86 GRM5 (0.83) GRM5FPR2P2RX7

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-2654422-B1 Bicyclo[3.2.1]octyl amide derivatives as allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5 or mGluR5) for the treatment of central nervous system (CNS) disorders H LUNDBECK AS (DK) 2017-08-02 EP disclosed