SCHEMBL6810063

SCHEMBL6810063

CCC(=O)NCCC1CCc2ccc3c(c21)OCC3

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.79
MTNR1B P49286 20/20 0.79
ABCB11 O95342 1/20 0.73
SIGMAR1 Q99720 1/20 0.73
USP2 O75604 1/20 0.73
NQO2 P16083 1/20 0.57

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
SCHEMBL6810066 1.00 MTNR1A (0.79) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL3065294 0.88 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
Ramelteon SCHEMBL29237 0.85 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL29827337 0.85 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL338730 0.85 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
Ramelteon SCHEMBL29380213 0.85 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL1566122 0.85 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL3069652 0.83 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL2459178 0.81 MTNR1A (0.67) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL2459176 0.81 MTNR1A (0.67) MTNR1AMTNR1BABCB11SIGMAR1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100508-B8 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-07 EP disclosed
EP-1100508-B1 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-08-27 EP disclosed
EP-1100508-A2 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS Takeda Chemical Industries, Ltd. (JP) 2001-05-23 EP disclosed
WO-1999063977-A3 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE, TRIAZOLAM AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-03-29 WO disclosed
WO-1999063977-A2 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE, TRIAZOLAM AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-16 WO disclosed