SCHEMBL7055069

SCHEMBL7055069

CCCCOc1cc2c(C(CC)CNC(C)=O)c[nH]c2c(Cl)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.40
MTNR1B P49286 8/20 0.40
CNR2 P34972 2/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
SLC6A4 P31645 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
SCHEMBL8822729 0.88 MTNR1A (0.45) MTNR1AMTNR1BMEN1KMT2ALMNA
SCHEMBL7055582 0.83 MTNR1A (0.39) MTNR1AMTNR1BHTR2BHTR2CACACB
SCHEMBL7050446 0.81 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2ALMNA
SCHEMBL7058314 0.79 MTNR1A (0.35) MTNR1AMTNR1BCNR2
SCHEMBL7055230 0.78 MTNR1A (0.44) MTNR1AMTNR1BMEN1KMT2ALMNA
SCHEMBL8822781 0.77 MTNR1A (0.41) MTNR1AMTNR1BMEN1KMT2ALMNA
SCHEMBL8822760 0.77 MTNR1A (0.60) MTNR1AMTNR1BMEN1KMT2ALMNA
SCHEMBL8822773 0.75 MTNR1A (0.35) MTNR1AMTNR1BCNR2
SCHEMBL7055794 0.74
SCHEMBL7055536 0.72 MTNR1A (0.48) MTNR1AMTNR1BMEN1KMT2ACYP1A2

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 14 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
CN-1191484-A Melatonin agonists for treating benign prostatic hyperplasia LILLY CO ELI (US) 1998-08-26 CN 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-1107700-A Melatonin derivatives for use in terating desynchronization disorders LILLY CO ELI (US) 1995-09-06 CN disclosed
CN-1107701-A Melatonin derivatives for use in treating sleep 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