SCHEMBL7053336

SCHEMBL7053336

CCC(CNC(C)=O)c1cn(C(C)=O)c2c(F)c(Cl)c(OC(C)C)cc12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL7060002 0.80 MTNR1A (0.32) MTNR1AMTNR1BRORC
SCHEMBL7060005 0.77 MTNR1A (0.35) MTNR1AMTNR1BRORC
SCHEMBL8717348 0.74 MPO (0.38) MTNR1AMTNR1B
SCHEMBL9056237 0.73 MTNR1A (0.34) MTNR1AMTNR1BRORC
SCHEMBL7055230 0.70 MTNR1A (0.44) MTNR1AMTNR1BRORC
SCHEMBL7053345 0.67 MTNR1A (0.47) MTNR1AMTNR1BRORC
SCHEMBL27493167 0.65 MTNR1A (0.45) MTNR1AMTNR1BRORC
SCHEMBL7053413 0.65 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL7055145 0.65 ACACB (0.35) MTNR1AMTNR1B
SCHEMBL7050446 0.64 MTNR1A (0.52) MTNR1AMTNR1B

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 12 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
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