SCHEMBL5722255

SCHEMBL5722255

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.50
MTNR1B P49286 3/20 0.50
ACHE P22303 3/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
DRD2 P14416 4/20 0.42
KDM4E B2RXH2 2/20 0.42
DRD4 P21917 2/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
POLB P06746 1/20 0.42
HTR1D P28221 1/20 0.41
DRD3 P35462 1/20 0.41
TAOK3 Q9H2K8 3/20 0.41
TAOK1 Q7L7X3 2/20 0.41
PPARD Q03181 2/20 0.41

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
SCHEMBL5722257 1.00 MTNR1A (0.50) MTNR1AMTNR1BACHECA1CA2
SCHEMBL5722293 0.89 ACHE (0.53) MTNR1AMTNR1BACHECA1CA2
SCHEMBL5722289 0.89 ACHE (0.53) MTNR1AMTNR1BACHECA1CA2
SCHEMBL7035289 0.88 MTNR1A (0.53) MTNR1AMTNR1BACHECA1CA2
SCHEMBL5681677 0.88 MTNR1A (0.53) MTNR1AMTNR1BACHECA1CA2
SCHEMBL7545783 0.83 MTNR1A (0.42) MTNR1AMTNR1BACHECA1CA2
SCHEMBL7545778 0.83 MTNR1A (0.42) MTNR1AMTNR1BACHECA1CA2
SCHEMBL5679130 0.83 MTNR1A (0.52) MTNR1AMTNR1BACHECA1CA2
SCHEMBL7545419 0.82 MTNR1A (0.45) MTNR1AMTNR1BACHECA1CA2
SCHEMBL7545412 0.82 MTNR1A (0.45) MTNR1AMTNR1BACHECA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893432-B1 PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES KISSEI PHARMACEUTICAL (JP) 2006-11-08 EP disclosed
EP-0882704-B1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES KISSEI PHARMACEUTICAL (JP) 2002-10-09 EP disclosed
US-6133266-A 3,4-disubstituted phenylethanolaminotetralincarboxamide derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
US-6046192-A Phenylethanolaminotetralincarboxamide derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2000-04-04 US disclosed
EP-0893432-A1 PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES Kissei Pharmaceutical Co. Ltd. (JP) 1999-01-27 EP disclosed
EP-0882704-A1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed