SCHEMBL9668362

SCHEMBL9668362

COc1cc2c(cc1OCc1ccccc1)CCN(C(C)=O)C2

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.69
KMT2A Q03164 2/20 0.67
NPC1 O15118 1/20 0.67
GPR183 P32249 1/20 0.67
HCRTR2 O43614 8/20 0.61
HCRTR1 O43613 2/20 0.59
HSD17B10 Q99714 3/20 0.58
KDM4E B2RXH2 2/20 0.58
ALOX15 P16050 1/20 0.58
THRB P10828 1/20 0.58
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
MDM2 Q00987 1/20 0.57
REV1 Q9UBZ9 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL9667825 1.00 CHRNA7 (0.69) CHRNA7KMT2ANPC1GPR183HCRTR2
SCHEMBL3056571 0.87 KDM4E (0.69) CHRNA7KMT2ANPC1GPR183HCRTR2
SCHEMBL9416605 0.86 LMNA (0.75) CHRNA7KMT2ANPC1GPR183HCRTR2
SCHEMBL9416631 0.85 KMT2A (0.76) CHRNA7KMT2ANPC1GPR183HCRTR2
SCHEMBL3041866 0.85 KMT2A (0.62) CHRNA7KMT2ANPC1GPR183HCRTR2
SCHEMBL3056740 0.85 KMT2A (0.68) CHRNA7KMT2ANPC1GPR183HCRTR2
SCHEMBL3056795 0.85 KMT2A (0.62) CHRNA7KMT2ANPC1GPR183HCRTR2
SCHEMBL7006650 0.83 MAPK1 (0.65) KMT2ANPC1HSD17B10KDM4EALOX15
SCHEMBL5471336 0.83 KMT2A (0.70) CHRNA7KMT2ANPC1GPR183HCRTR2
SCHEMBL3055130 0.83 PDE4B (0.66) CHRNA7KMT2ANPC1GPR183HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308059-B1 1,2,3,4-TETRAHYDROISOQUINOLINE ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1992-09-09 EP disclosed
US-4965360-A Tetrahydroisoquinoline compounds PFIZER INC. (US) 1990-10-23 US disclosed
US-4882337-A Tetrahydroisoquinoline antiarrhythmic agents PFIZER INC. (US) 1989-11-21 US disclosed
EP-0308059-A1 1,2,3,4-Tetrahydroisoquinoline antiarrhythmic agents Pfizer Limited (GB) 1989-03-22 EP disclosed