SCHEMBL4418256

SCHEMBL4418256

COc1cc2c(c(OC)c1)C(c1cccc(OC(F)(F)F)c1)N(C(=O)c1ccc(OC(F)(F)F)cc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
GRIN2C Q14957 3/20 0.51
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 1/20 0.50
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
ABCB1 P08183 3/20 0.47
ABCG2 Q9UNQ0 3/20 0.47
PDE4B Q07343 4/20 0.45
PDE4D Q08499 2/20 0.45
MAPT P10636 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
SCHEMBL4413447 0.98 KMT2A (0.55) KMT2AMEN1GRIN2CNPSR1LMNA
SCHEMBL4423047 0.94 GRIN2C (0.51) KMT2AMEN1GRIN2CNPSR1LMNA
SCHEMBL4416192 0.93 GRIN2C (0.47) KMT2AMEN1GRIN2CNPSR1LMNA
SCHEMBL4413378 0.91 KMT2A (0.45) KMT2AMEN1GRIN2CNPSR1LMNA
SCHEMBL6509279 0.91 GRIN2C (0.52) KMT2AMEN1GRIN2CNPSR1LMNA
SCHEMBL4416759 0.90 GRIN2C (0.53) KMT2AMEN1GRIN2CNPSR1LMNA
SCHEMBL4418264 0.89 MTNR1B (0.52) KMT2AMEN1GRIN2CNPSR1LMNA
SCHEMBL4417027 0.89 MTNR1B (0.47) KMT2AMEN1GRIN2CNPSR1LMNA
SCHEMBL4413317 0.89 GRIN2C (0.43) KMT2AMEN1GRIN2CNPSR1LMNA
SCHEMBL4415216 0.89 GRIN2C (0.55) KMT2AMEN1GRIN2CNPSR1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663983-B1 N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2009-01-21 EP disclosed
EP-1489071-A1 N-substituted, 3,4-dihydro-1H-isoquinoline as potassium channels modulators 4SC AG (DE) 2004-12-22 EP disclosed