SCHEMBL7053288

SCHEMBL7053288

COc1cc2c(C(C)CNC=O)c[nH]c2cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.52
MTNR1B P49286 6/20 0.52
HTR2A P28223 4/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
CIT O14578 1/20 0.35
AURKA O14965 1/20 0.35
GAK O14976 1/20 0.35
MAP3K7 O43318 1/20 0.35
RIPK2 O43353 1/20 0.35

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
SCHEMBL8822744 0.89 MTNR1A (0.43) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL7118042 0.82 MTNR1A (0.41) MTNR1AMTNR1BHTR2ALMNAL3MBTL1
SCHEMBL7058302 0.82 MTNR1A (0.42) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL7055807 0.77 MTNR1A (0.47) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL7883054 0.76 MTNR1A (0.69) MTNR1AMTNR1BHTR2AHTR2BLMNA
SCHEMBL7052855 0.72 MTNR1A (0.55) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL8822750 0.72 MTNR1A (0.37) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL22438748 0.72 GRIN2D (0.44) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL7055761 0.71 MTNR1A (0.52) MTNR1AMTNR1BLMNAL3MBTL1TRPV1
SCHEMBL7051639 0.70 MTNR1A (0.52) MTNR1AMTNR1BHTR2AHTR2CHTR2B

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-0656209-B1 Melatonin derivatives for use in treating desynchronization disorders LILLY CO ELI (US) 2003-05-07 EP disclosed
EP-0655243-B1 Melatonin derivatives for use in treating sleep disorders LILLY CO ELI (US) 2002-08-21 EP disclosed
US-6180657-B1 SLEEP DISORDERS ELI LILLY AND COMPANY 2001-01-30 US disclosed
US-5654325-A Melatonin derivatives for use in treating sleep disorders ELI LILLY AND COMPANY (US) 1997-08-05 US disclosed
EP-0748627-A2 Melatonin agonists for use in the treatment of benign prostatic hyperplasia ELI LILLY AND COMPANY (US) 1996-12-18 EP disclosed
EP-0656209-A2 Melatonin derivatives for use in treating desynchronization disorders ELI LILLY AND COMPANY (US) 1995-06-07 EP disclosed
EP-0655243-A2 Melatonin derivatives for use in treating sleep disorders ELI LILLY AND COMPANY (US) 1995-05-31 EP disclosed
US-4997845-A β-alkylmelatonins as ovulation inhibitors ELI LILLY AND COMPANY (US) 1991-03-05 US disclosed