SCHEMBL7051405

SCHEMBL7051405

CCCC(=O)NCC(C)c1c[nH]c2cc(Cl)c(OC)cc12

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.78
MTNR1B P49286 12/20 0.78
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
SLC6A4 P31645 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
HTR2B P41595 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
TRPV1 Q8NER1 2/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7056295 0.92 MTNR1A (0.80) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL29424270 0.88 MTNR1A (1.00) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL1539259 0.88 MTNR1A (1.00) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL9671595 0.88 MTNR1A (1.00) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL678611 0.88 MTNR1A (1.00) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL7055753 0.80 MTNR1A (0.51) MTNR1AMTNR1BHTR2BTRPV1
SCHEMBL7058321 0.79 MTNR1A (0.49) MTNR1AMTNR1BTRPV1
SCHEMBL7891034 0.79 MTNR1A (0.79) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL7057717 0.78 MTNR1A (0.53) MTNR1AMTNR1BTRPV1
SCHEMBL7056004 0.77 MTNR1A (0.80) MTNR1AMTNR1BMEN1LMNACYP1A2

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 10 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
WO-1997000069-A1 MELATONIN AGONISTS FOR TREATING BENIGN PROSTATIC HYPERPLASIA ELI LILLY AND COMPANY (US) 1997-01-03 WO 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