SCHEMBL7055579

SCHEMBL7055579

CCCC(=O)NCC(C)c1cn(C(=O)CBr)c2c(Cl)cc(OCC)cc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.48
MTNR1B P49286 14/20 0.48
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ACACB O00763 1/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL7056801 0.69 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL8715089 0.68 MTNR1A (0.48) MTNR1AMTNR1BPOLB
SCHEMBL7055145 0.67 ACACB (0.35) MTNR1AMTNR1BTHRBACACB
SCHEMBL7057717 0.65 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL7056605 0.65 MTNR1A (0.37) MTNR1AMTNR1BTHRATHRB
SCHEMBL7056854 0.64 MTNR1B (0.42) MTNR1AMTNR1BKMT2APOLBMEN1
SCHEMBL7893165 0.59 SMN1; SMN2 (0.52) MTNR1AMTNR1BKMT2AMEN1
SCHEMBL7056044 0.59 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL7051405 0.59 MTNR1A (0.78) MTNR1AMTNR1BKMT2AMEN1
SCHEMBL7055753 0.57 MTNR1A (0.51) 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 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