SCHEMBL7053325

SCHEMBL7053325

CCCCOc1cc2c(C(CCC)CNC(=O)CCC)c[nH]c2cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.47
MTNR1B P49286 4/20 0.47
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
HTR2B P41595 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7051405 0.76 MTNR1A (0.78) MTNR1AMTNR1BMAPK1MEN1LMNA
SCHEMBL7056605 0.73 MTNR1A (0.37) MTNR1AMTNR1BKDM4EHSD17B10THRB
SCHEMBL7053360 0.71 MTNR1A (0.43) MTNR1AMTNR1BMAPK1MEN1LMNA
SCHEMBL4967386 0.71 MTNR1A (0.76) MTNR1AMTNR1BHPGDMAPK1MEN1
SCHEMBL7056044 0.70 MTNR1A (0.61) MTNR1AMTNR1BMAPK1CYP1A2CYP3A4
SCHEMBL27984366 0.69 CYP1A2 (0.40) MTNR1AMTNR1BHPGDMEN1LMNA
SCHEMBL7056295 0.69 MTNR1A (0.80) MTNR1AMTNR1BHPGDMAPK1MEN1
SCHEMBL7058314 0.69 MTNR1A (0.35) MTNR1AMTNR1BHPGDTSHRTHRB
SCHEMBL7055753 0.68 MTNR1A (0.51) MTNR1AMTNR1BHTR2BTRPV1
SCHEMBL8718574 0.67 MTNR1A (0.42) MTNR1AMTNR1BHPGDTSHRMEN1

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