SCHEMBL4684606

SCHEMBL4684606

C=CCOc1cc2c(cc1Br)CCC2CCNC(=O)CC

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.55
MTNR1B P49286 20/20 0.55
NQO2 P16083 13/20 0.55

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
SCHEMBL4684602 1.00 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL12056667 0.89 MTNR1A (0.56) MTNR1AMTNR1BNQO2
SCHEMBL4814134 0.88 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL13421101 0.88 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL4811246 0.88 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL4691158 0.86 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL4267735 0.85 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL4691243 0.85 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL4685376 0.84 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL13891935 0.83 MTNR1A (0.60) MTNR1AMTNR1BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101821230-A Process for preparing substituted 7-allyl-6-hydroxy-indanes FERRER INT 2010-09-01 CN claimed
US-7470814-B1 Process for the preparation of substituted 7-allyl-6-hydroxy-indanes FERRER INTERNACIONAL, S.A. (ES) 2008-12-30 US claimed
CN-101821230-A Process for preparing substituted 7-allyl-6-hydroxy-indanes FERRER INT 2010-09-01 CN disclosed
US-7470814-B1 Process for the preparation of substituted 7-allyl-6-hydroxy-indanes FERRER INTERNACIONAL, S.A. (ES) 2008-12-30 US disclosed
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