SCHEMBL4420501

SCHEMBL4420501

COc1cc2c(c(OC)c1)C(c1ccc(O)cc1)N(C(=O)CCc1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.51
GRIN2C Q14957 3/20 0.49
LMNA P02545 7/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MITF O75030 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP2D6 P10635 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GHSR Q92847 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
SCHEMBL4418437 0.84 GRIN2C (0.46) MTNR1BGRIN2CLMNAALDH1A1NPC1
SCHEMBL4423040 0.83 LMNA (0.51) MTNR1BGRIN2CLMNAALDH1A1NPC1
SCHEMBL4413412 0.82 LMNA (0.51) MTNR1BGRIN2CLMNAALDH1A1NPC1
SCHEMBL4423052 0.80 GRIN2C (0.57) MTNR1BGRIN2CLMNANPSR1
SCHEMBL4414980 0.78 KMT2A (0.60) MTNR1BGRIN2CLMNANPSR1TP53
SCHEMBL14646677 0.78 ALDH1A1 (0.75) MTNR1BLMNAALDH1A1NPC1RAB9A
SCHEMBL4423041 0.78 GRIN2C (0.54) MTNR1BGRIN2CTP53
SCHEMBL4413283 0.77 MTNR1B (0.46) MTNR1BGRIN2CTRPV1
SCHEMBL4422963 0.77 GRIN2C (0.47) MTNR1BGRIN2CLMNAALDH1A1HTT
SCHEMBL4552686 0.77 MTNR1B (0.45) MTNR1BGRIN2CTRPV1

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 3 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-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