SCHEMBL13809233

SCHEMBL13809233

COc1cc2c(c(OC)c1)C(c1cccc(F)c1F)N(C(=O)c1cccc(-c3nnn[nH]3)c1)CC2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 7/20 0.43
LMNA P02545 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MTNR1B P49286 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL13809227 0.93 GRIN2C (0.43) GRIN2CLMNAMEN1KMT2AMTNR1B
SCHEMBL13809247 0.78 GRIN2C (0.49) GRIN2CLMNAMEN1KMT2A
SCHEMBL13809246 0.78 GRIN2C (0.51) GRIN2CLMNAMEN1KMT2A
SCHEMBL13809226 0.75 ABCG2 (0.39) GRIN2CMEN1KMT2AROCK2
SCHEMBL13809019 0.75 GRIN2C (0.44) GRIN2CLMNAMEN1KMT2AMTNR1B
SCHEMBL13809245 0.74 RXFP1 (0.45) GRIN2CLMNAMEN1KMT2AMTNR1B
SCHEMBL4411409 0.69 GRIN2C (0.64) GRIN2CMEN1KMT2AMTNR1B
SCHEMBL4423041 0.69 GRIN2C (0.54) GRIN2CMEN1KMT2AMTNR1B
SCHEMBL13809240 0.68 GRIN2C (0.54) GRIN2CMEN1KMT2AMTNR1B
SCHEMBL4423047 0.68 GRIN2C (0.51) GRIN2CLMNAMEN1KMT2AMTNR1B

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