SCHEMBL7051523

SCHEMBL7051523

CCC(=O)NCC(C)c1c[nH]c2c(Br)cc(OC)cc12

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.62
MTNR1B P49286 17/20 0.62
TRPV1 Q8NER1 1/20 0.44
HTR2C P28335 2/20 0.42

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
SCHEMBL7054305 0.81 MTNR1A (0.47) MTNR1AMTNR1BTRPV1HTR2C
SCHEMBL7057717 0.80 MTNR1A (0.53) MTNR1AMTNR1BTRPV1
SCHEMBL7055344 0.79 MTNR1A (0.54) MTNR1AMTNR1BTRPV1HTR2C
SCHEMBL7056844 0.76 MTNR1A (0.44) MTNR1AMTNR1BTRPV1
SCHEMBL7057928 0.76 MTNR1A (0.42) MTNR1AMTNR1BTRPV1HTR2C
SCHEMBL7055900 0.76 MTNR1A (0.65) MTNR1AMTNR1BTRPV1HTR2C
SCHEMBL7055803 0.76 MTNR1A (0.65) MTNR1AMTNR1BTRPV1HTR2C
SCHEMBL7051624 0.76 MTNR1A (0.56) MTNR1AMTNR1BHTR2C
SCHEMBL7057923 0.75 MTNR1A (0.44) MTNR1AMTNR1BTRPV1HTR2C
SCHEMBL7055761 0.74 MTNR1A (0.52) 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-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