SCHEMBL19853779

SCHEMBL19853779

COc1ccc(CN2CC3(CCCCC3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
CMA1 P23946 1/20 0.47
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
OPRM1 P35372 9/20 0.45
OPRL1 P41146 9/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP1 P03956 1/20 0.44
MMP13 P45452 1/20 0.44
GRM2 Q14416 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
RIPK1 Q13546 1/20 0.43

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
SCHEMBL15491788 0.87 GAA (0.53) GAACMA1GSK3AGSK3BMEN1
SCHEMBL19839918 0.86 GAA (0.49) GAACMA1GSK3AGSK3BOPRM1
SCHEMBL19853665 0.85 GAA (0.48) GAACMA1GSK3AGSK3BOPRM1
SCHEMBL19839346 0.85 GAA (0.48) GAACMA1GSK3AGSK3BOPRM1
SCHEMBL19853781 0.82 MMP1 (0.50) GAACMA1OPRM1OPRL1MEN1
Nevadistinel SCHEMBL19850606 0.79 GAA (0.51) GAACMA1GSK3AGSK3BOPRM1
SCHEMBL19838842 0.79 GAA (0.48) GAACMA1GSK3AGSK3BOPRM1
Nevadistinel SCHEMBL19838866 0.79 GAA (0.51) GAACMA1GSK3AGSK3BOPRM1
Nevadistinel SCHEMBL19850602 0.79 GAA (0.51) GAACMA1GSK3AGSK3BOPRM1
SCHEMBL19838514 0.78 GAA (0.47) GAACMA1GSK3AGSK3BOPRM1

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
WO-2018026763-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2018-02-08 WO disclosed