SCHEMBL7055145

SCHEMBL7055145

CCCCOc1cc(Cl)c2c(c1)c(C(CC)CNC(C)=O)cn2C(=O)CC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.35
MTNR1A P48039 10/20 0.35
MTNR1B P49286 6/20 0.34
HTR2C P28335 1/20 0.34
THRB P10828 3/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL8717471 0.72 CNR2 (0.40) MTNR1AMTNR1B
SCHEMBL7060002 0.72 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL27493167 0.70 MTNR1A (0.45) MTNR1AMTNR1BHTR2C
SCHEMBL7058558 0.69 MTNR1A (0.37) ACACBMTNR1AMTNR1BHTR2CTHRB
SCHEMBL7055579 0.67 MTNR1A (0.48) ACACBMTNR1AMTNR1BTHRB
SCHEMBL7055536 0.66 MTNR1A (0.48) MTNR1AMTNR1BHTR2C
SCHEMBL7060005 0.65 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL7055069 0.65 MTNR1A (0.40) ACACBMTNR1AMTNR1BHTR2CLMNA
SCHEMBL7053336 0.65 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL7053345 0.65 MTNR1A (0.47) ACACBMTNR1AMTNR1BHTR2C

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
EP-0656209-B1 Melatonin derivatives for use in treating desynchronization disorders LILLY CO ELI (US) 2003-05-07 EP disclosed
CN-1100533-C Melatonin derivatives for use in terating desynchronization disorders LILLY CO ELI (US) 2003-02-05 CN disclosed
CN-1092958-C Melatonin derivatives for use in treating sleep disorders LILLY CO ELI (US) 2002-10-23 CN 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-5770610-A ADMINISTERING R-(+)-N-(2-METHYL-2-(5-METHOXY-6-CHLOROINDOL-3-YL)ETHYL) ACETAMIDE ELI LILLY AND COMPANY (US) 1998-06-23 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
CN-1107701-A Melatonin derivatives for use in treating sleep disorders LILLY CO ELI (US) 1995-09-06 CN disclosed
CN-1107700-A Melatonin derivatives for use in terating desynchronization disorders LILLY CO ELI (US) 1995-09-06 CN 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