SCHEMBL7422767

SCHEMBL7422767

CC(C)(C)OC(=O)NCC(CCN)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
CTSK P43235 5/20 0.47
CTSS P25774 4/20 0.47
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
IDO1 P14902 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
AAK1 Q2M2I8 1/20 0.40

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
SCHEMBL1429047 0.89 CTSK (0.49) SYKCTSKCTSSMTNR1AMTNR1B
SCHEMBL6592966 0.89 CTSK (0.49) SYKCTSKCTSSMTNR1AMTNR1B
SCHEMBL16798314 0.88 SYK (0.48) SYKCTSKCTSSMTNR1AMTNR1B
SCHEMBL4583612 0.86 MAPT (0.54) SYKCTSKCTSSMTNR1AMTNR1B
SCHEMBL16680112 0.86 MAPT (0.54) SYKCTSKCTSSMTNR1AMTNR1B
SCHEMBL9705410 0.85 SYK (0.46) SYKCTSKCTSSMTNR1AMTNR1B
SCHEMBL5742834 0.85 CTSK (0.50) SYKCTSKCTSSMTNR1AMTNR1B
SCHEMBL16897058 0.83 CTSK (0.49) SYKCTSKCTSSMTNR1AMTNR1B
SCHEMBL20773522 0.81 SYK (0.47) SYKCTSKCTSSMTNR1AMTNR1B
SCHEMBL5085011 0.81 SYK (0.47) SYKCTSKCTSSMTNR1AMTNR1B

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
US-4709032-A VASODILATION AND HYPOTENSIVE AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-11-24 US disclosed
US-4634770-A VASODILATORS, HYPOTENSIVES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-01-06 US disclosed
EP-0109023-A1 Isoquinolinesulfonamide derivatives and process for the preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-05-23 EP disclosed