SCHEMBL4687311

SCHEMBL4687311

CCC(=O)NCCC1CCc2ccc(O)c(O)c21

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.64
MTNR1B P49286 20/20 0.64
ABCB11 O95342 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
USP2 O75604 1/20 0.63
NQO2 P16083 4/20 0.62

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
SCHEMBL4686381 0.90 MTNR1A (0.64) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL4685370 0.88 MTNR1A (0.61) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL4689236 0.84 MTNR1A (0.58) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL4686374 0.84 MTNR1A (0.58) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL6810066 0.80 MTNR1A (0.79) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL6810063 0.80 MTNR1A (0.79) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL2297942 0.80 MTNR1A (0.55) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL1613337 0.79 MTNR1A (0.64) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL12056666 0.79 MTNR1A (0.52) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL13844428 0.79 MTNR1A (0.52) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100443480-C Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-12-17 CN disclosed
CN-100441574-C Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-12-10 CN disclosed
EP-0885210-B2 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA PHARMACEUTICAL (JP) 2008-06-18 EP disclosed
CN-1900067-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2007-01-24 CN disclosed
CN-1727339-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-01 CN disclosed
EP-1550655-A1 Bicyclic intermediates Takeda Pharmaceutical Company Limited (JP) 2005-07-06 EP disclosed
EP-0885210-B1 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-06-12 EP disclosed
EP-1199304-A1 Bicyclic compounds and pharmaceutical composition containing tricyclic compound for treating or preventing sleep disorders Takeda Chemical Industries, Ltd. (JP) 2002-04-24 EP disclosed
US-6218429-B1 TREATING MELATONIN RELATED DISORDERS (E.G. CIRCARDIAN RHYTHMS, SLEEP-AWAKE CYCLES, TIME ZONE CHANGES, SLEEP DISORDERS) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
US-6034239-A BINDIG TO MELATONIN RECEPTORS; SLEEP DISORDERS; GLANDULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
CN-1212691-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-03-31 CN disclosed
EP-0885210-A1 Tricylic compounds having binding affinity for melatonin receptors, their production and use Takeda Chemical Industries, Ltd. (JP) 1998-12-23 EP disclosed
WO-1997032871-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-12 WO disclosed