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SCHEMBL13809019

SCHEMBL13809019

COc1cc2c(c(OC)c1)C(c1cccc(F)c1F)N(C(=O)c1cc(Cl)c(Cl)cc1C(=O)O)CC2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRIN2C Q14957 6/20 0.44
▸ MTNR1B P49286 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ FKBP1A P62942 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39

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 0.90 GRIN2C (0.49) GRIN2CMTNR1BLMNAFKBP1AMEN1
SCHEMBL13809245 0.82 RXFP1 (0.45) GRIN2CMTNR1BLMNATP53RXFP1
SCHEMBL13809247 0.82 GRIN2C (0.49) GRIN2CLMNATP53MEN1KMT2A
SCHEMBL13809246 0.80 GRIN2C (0.51) GRIN2CLMNATP53MEN1KMT2A
SCHEMBL13809227 0.75 GRIN2C (0.43) GRIN2CMTNR1BLMNATP53MEN1
SCHEMBL13809233 0.75 GRIN2C (0.43) GRIN2CMTNR1BLMNAMEN1KMT2A
SCHEMBL13809007 0.74 GRIN2C (0.43) GRIN2CLMNAMEN1KMT2A
SCHEMBL13809240 0.73 GRIN2C (0.54) GRIN2CMTNR1BFKBP1AMEN1KMT2A
SCHEMBL4416128 0.72 TRPV1 (0.46) GRIN2CMTNR1BTP53RXFP1FKBP1A
SCHEMBL10025907 0.70 OPRD1 (0.38) —

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