SCHEMBL7058346

SCHEMBL7058346

CCOc1cc2c(C(C)CNC(C)=O)c[nH]c2c(I)c1Br

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.50
MTNR1B P49286 9/20 0.50
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPV1 Q8NER1 2/20 0.32
ACACB O00763 1/20 0.32
RORC P51449 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
PARP14 Q460N5 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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 0.82 MTNR1A (0.47) MTNR1AMTNR1BRXFP1TRPV1
SCHEMBL7056844 0.78 MTNR1A (0.44) MTNR1AMTNR1BHPGDSMN1; SMN2NPSR1
SCHEMBL7051614 0.77 MTNR1A (0.65) MTNR1AMTNR1BHPGDNPSR1TRPV1
SCHEMBL7051696 0.77 MTNR1A (0.64) MTNR1AMTNR1BHPGDNPSR1TRPV1
SCHEMBL4966587 0.73 MTNR1A (0.69) MTNR1AMTNR1BHPGDNPSR1TRPV1
SCHEMBL7056833 0.73 MTNR1A (0.58) MTNR1AMTNR1BTRPV1RORCLMNA
SCHEMBL8822728 0.72 MTNR1A (0.57) MTNR1AMTNR1BHPGDNPSR1TRPV1
SCHEMBL7054082 0.72 MTNR1A (0.66) MTNR1AMTNR1BHPGDNPSR1TRPV1
SCHEMBL13390756 0.71 MTNR1A (0.76) MTNR1AMTNR1BHPGDNPSR1TRPV1
SCHEMBL7057879 0.71 MTNR1A (0.65) MTNR1AMTNR1BHPGDNPSR1TRPV1

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