SCHEMBL7055786

SCHEMBL7055786

CCC(CNC(C)=O)c1c[nH]c2ccc(OC)cc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.75
MTNR1B P49286 10/20 0.75
HTR2B P41595 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A1 P04798 1/20 0.58
MPO P05164 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
CYP2D6 P10635 1/20 0.58
HPGD P15428 1/20 0.58
NQO2 P16083 1/20 0.58
RAB9A P51151 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
KMT2A Q03164 1/20 0.58
CYP1B1 Q16678 1/20 0.58
NOTUM Q6P988 1/20 0.58

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
SCHEMBL3377140 0.91 MTNR1A (0.75) MTNR1AMTNR1BHTR2BKDM4EMEN1
SCHEMBL3376958 0.91 MTNR1A (0.75) MTNR1AMTNR1BHTR2BKDM4EMEN1
SCHEMBL3376956 0.91 MTNR1A (0.75) MTNR1AMTNR1BHTR2BKDM4EMEN1
SCHEMBL7057705 0.90 MTNR1A (0.60) MTNR1AMTNR1BHTR2BKDM4EMEN1
SCHEMBL8437093 0.86 MTNR1A (0.78) MTNR1AMTNR1BHTR2BKDM4EMEN1
SCHEMBL9671722 0.86 MTNR1A (1.00) MTNR1AMTNR1BHTR2BKDM4EMEN1
SCHEMBL9671286 0.86 MTNR1A (1.00) MTNR1AMTNR1BHTR2BKDM4EMEN1
SCHEMBL7055939 0.86 MTNR1A (1.00) MTNR1AMTNR1BHTR2BKDM4EMEN1
SCHEMBL10566437 0.85 MTNR1A (0.77) MTNR1AMTNR1BHTR2BKDM4EMEN1
SCHEMBL7055969 0.84 MTNR1A (0.79) MTNR1AMTNR1BHTR2BKDM4EMEN1

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-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
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