SCHEMBL5722293

SCHEMBL5722293

CN(C)C(=O)CCCOc1ccc2c(c1)CC(NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PDK2 Q15119 1/20 0.41
PDE3B Q13370 4/20 0.40
PDE3A Q14432 4/20 0.40
TAOK1 Q7L7X3 2/20 0.40
TAOK3 Q9H2K8 2/20 0.40
DRD2 P14416 1/20 0.40
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL5722289 1.00 ACHE (0.53) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL5722257 0.89 MTNR1A (0.50) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL5722255 0.89 MTNR1A (0.50) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL5681677 0.81 MTNR1A (0.53) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL7035289 0.81 MTNR1A (0.53) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL5681735 0.81 ACHE (0.48) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL5679130 0.81 MTNR1A (0.52) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL9443694 0.80 ADRB3 (0.51) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL9443701 0.80 ADRB3 (0.51) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL9443665 0.80 ADRB3 (0.51) ACHECA1CA2MTNR1AMTNR1B

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