SCHEMBL7053360

SCHEMBL7053360

CCCOc1cc2c(C(CC)CNC=O)c[nH]c2cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
HTR2B P41595 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
ADRB3 P13945 1/20 0.31
CSNK2A1 P68400 2/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31

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
SCHEMBL7055794 0.76
SCHEMBL7055084 0.72 MTNR1A (0.54) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL4967386 0.72 MTNR1A (0.76) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL7053325 0.71 MTNR1A (0.47) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL8822739 0.71 MTNR1A (0.61) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL7118042 0.69 MTNR1A (0.41) MTNR1AMTNR1BLMNA
SCHEMBL7053323 0.69 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL7051623 0.69 LMNA (0.31) LMNA
SCHEMBL7055798 0.69 EGFR (0.30)
SCHEMBL7051639 0.68 MTNR1A (0.52) MTNR1AMTNR1BMEN1CYP1A2CYP3A4

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