SCHEMBL7053345

SCHEMBL7053345

CCC(CNC(C)=O)c1cn(C(=O)C(C)(C)C)c2ccc(OC(C)C)cc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.47
MTNR1B P49286 13/20 0.47
HTR2C P28335 1/20 0.38
RORC P51449 3/20 0.36
AKR1C3 P42330 1/20 0.35
NQO2 P16083 1/20 0.35
ACACB O00763 1/20 0.34

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
SCHEMBL27493167 0.85 MTNR1A (0.45) MTNR1AMTNR1BHTR2CRORCAKR1C3
SCHEMBL7057889 0.75 MTNR1A (0.42) MTNR1AMTNR1BHTR2CAKR1C3
SCHEMBL8711498 0.71 MEN1 (0.41) MTNR1AMTNR1BAKR1C3NQO2
SCHEMBL7055786 0.68 MTNR1A (0.75) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL7053336 0.67 MTNR1A (0.34) MTNR1AMTNR1BRORC
SCHEMBL10566139 0.66 MTNR1A (0.56) MTNR1AMTNR1BHTR2CAKR1C3NQO2
SCHEMBL7050429 0.66 MTNR1A (0.53) MTNR1AMTNR1BHTR2CAKR1C3
SCHEMBL7060002 0.66 MTNR1A (0.32) MTNR1AMTNR1BRORC
SCHEMBL7055145 0.65 ACACB (0.35) MTNR1AMTNR1BHTR2CACACB
SCHEMBL7060005 0.62 MTNR1A (0.35) MTNR1AMTNR1BRORC

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