SCHEMBL6677331

SCHEMBL6677331

C=CCc1c(OCc2ccccc2)cccc1C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.51
HTT P42858 1/20 0.49
PTGER1 P34995 1/20 0.47
TSHR P16473 2/20 0.47
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45

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
SCHEMBL28399309 0.88 SGMS2 (0.47) HTTPTGER1L3MBTL1MAPK1TDP1
SCHEMBL17694446 0.85 MEN1 (0.50) HTTPTGER1L3MBTL1MAPK1TDP1
SCHEMBL28281498 0.85 PTGER1 (0.53) HTTPTGER1L3MBTL1MAPK1TDP1
SCHEMBL7169652 0.83 TSHR (0.45) TSHRL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL20222909 0.83 SGMS2 (0.46) HTTPTGER1L3MBTL1MAPK1TDP1
SCHEMBL4984915 0.82 TSHR (0.50) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL6678939 0.82 PPIA (0.52) PPIAHTTPTGER1TSHRGABRP
SCHEMBL23312252 0.82 HTT (0.44) HTTPTGER1L3MBTL1TDP1MAPT
SCHEMBL340937 0.82 HTT (0.69) PPIAHTTPTGER1TSHRL3MBTL1
SCHEMBL28390845 0.79 APP (0.46) HTTPTGER1L3MBTL1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027043-B1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-11-10 EP disclosed
US-6569894-B1 Such as N-(3-(2-(4-phenylbutyl)-2,3-dihydrobenzofuran-4-yl)propyl)acetamide for treating circadian rhythm-related disorders BRISTOL-MYERS SQUIBB COMPANY 2003-05-27 US disclosed
EP-1027043-A4 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-02-20 EP disclosed
EP-1027043-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS Bristol-Myers Squibb Company (US) 2000-08-16 EP disclosed
US-6060506-A FOR TREATMENT OF SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-09 US disclosed
US-5981571-A USEFUL AS MELATONERGIC AGENTS IN THE TREATMENT OF SLEEP DISORDERS, SEASONAL DEPRESSION, SHIFTS IN CIRCADIAN CYCLES, MELANCHOLIA, STRESS, APPETITE REGULATION, BENIGN PROSTATIC HYPERPLASIA AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-09 US disclosed
US-5856529-A ADJUSTMENT OF NERVOUS SYSTEM, ENDOCRINE FUNCTION; REPRODUCTION, BODY WEIGHT AND METABOLISM BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-05 US disclosed
WO-1998025606-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-18 WO disclosed