SCHEMBL13809240

SCHEMBL13809240

C#Cc1cccc(C(=O)N2CCc3cc(OC)cc(OC)c3C2c2cccc(Cl)c2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 9/20 0.54
GRIN2D O15399 1/20 0.46
MTNR1B P49286 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FKBP1A P62942 1/20 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
SCHEMBL13809251 0.82 GRIN2C (0.49) GRIN2CMTNR1BMEN1KMT2AFKBP1A
SCHEMBL4423041 0.74 GRIN2C (0.54) GRIN2CMTNR1BMEN1KMT2A
SCHEMBL13809019 0.73 GRIN2C (0.44) GRIN2CMTNR1BMEN1KMT2AFKBP1A
SCHEMBL13809246 0.73 GRIN2C (0.51) GRIN2CMEN1KMT2A
SCHEMBL4411732 0.72 GRIN2C (0.56) GRIN2CGRIN2DMEN1KMT2A
SCHEMBL4423047 0.72 GRIN2C (0.51) GRIN2CMTNR1BMEN1KMT2A
SCHEMBL4412003 0.72 GRIN2C (0.55) GRIN2CGRIN2DMEN1KMT2A
SCHEMBL13809247 0.72 GRIN2C (0.49) GRIN2CGRIN2DMEN1KMT2A
SCHEMBL4414956 0.71 GRIN2C (0.54) GRIN2CGRIN2DMEN1KMT2A
SCHEMBL4422268 0.71 GRIN2C (0.55) GRIN2CGRIN2DMTNR1BMEN1KMT2A

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-2009073545-A2 TETRAHYDRO-ISOQUINOLINE PPAT INHIBITORS AS ANTIBACTERIAL AGENTS MAXTHERA, INC. (US) 2009-06-11 WO disclosed