SCHEMBL7545778

SCHEMBL7545778

CC(C)(C)OC(=O)N[C@H]1CCc2ccc(CCCCC(=O)O)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
DRD2 P14416 4/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ACHE P22303 2/20 0.40
GRIN2B Q13224 1/20 0.40
EPHX2 P34913 1/20 0.39
BTK Q06187 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL7545783 1.00 MTNR1A (0.42) MTNR1AMTNR1BDRD2KMT2AL3MBTL1
SCHEMBL7545412 0.93 MTNR1A (0.45) MTNR1AMTNR1BDRD2KMT2AL3MBTL1
SCHEMBL7545419 0.93 MTNR1A (0.45) MTNR1AMTNR1BDRD2KMT2AL3MBTL1
SCHEMBL9132654 0.85 MTNR1A (0.40) MTNR1AMTNR1BDRD2CA1CA2
SCHEMBL5722255 0.83 MTNR1A (0.50) MTNR1AMTNR1BDRD2CA1CA2
SCHEMBL5722257 0.83 MTNR1A (0.50) MTNR1AMTNR1BDRD2CA1CA2
SCHEMBL9133425 0.82 MTNR1A (0.42) MTNR1AMTNR1BDRD2CA1CA2
SCHEMBL9136926 0.82 MTNR1A (0.42) MTNR1AMTNR1BDRD2CA1CA2
SCHEMBL9130726 0.82 MTNR1A (0.42) MTNR1AMTNR1BDRD2CA1CA2
SCHEMBL9137396 0.81 MTNR1A (0.46) MTNR1AMTNR1BDRD2KMT2AL3MBTL1

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-0894787-B1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXYLATE DERIVATIVES KISSEI PHARMACEUTICAL (JP) 2002-06-12 EP disclosed
US-6136852-A 3,4-disubstituted phenylethanolaminotetralincarboxylic acid derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0894787-A1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXYLATE DERIVATIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1999-02-03 EP disclosed