SCHEMBL7058321

SCHEMBL7058321

CCCC(=O)NCC(C)c1c[nH]c2c(F)c(F)c(OC)cc12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.49
MTNR1B P49286 9/20 0.49
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL7051696 0.87 MTNR1A (0.64) MTNR1AMTNR1BTRPV1
SCHEMBL8822702 0.87 MTNR1A (0.43) MTNR1AMTNR1BTRPV1
SCHEMBL7054074 0.80 MTNR1A (0.39) MTNR1AMTNR1B
SCHEMBL7051405 0.79 MTNR1A (0.78) MTNR1AMTNR1BTRPV1
SCHEMBL7057879 0.79 MTNR1A (0.65) MTNR1AMTNR1BTRPV1
SCHEMBL7057717 0.79 MTNR1A (0.53) MTNR1AMTNR1BTRPV1
SCHEMBL7055753 0.79 MTNR1A (0.51) MTNR1AMTNR1BTRPV1
SCHEMBL7057865 0.78 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL7054082 0.78 MTNR1A (0.66) MTNR1AMTNR1BTRPV1
SCHEMBL7055344 0.78 MTNR1A (0.54) MTNR1AMTNR1BTRPV1

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 9 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-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
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