SCHEMBL7057705

SCHEMBL7057705

CCC(=O)NCC(CC)c1c[nH]c2ccc(OC)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.60
MTNR1B P49286 12/20 0.60
HTR2C P28335 3/20 0.54
TRPV1 Q8NER1 1/20 0.51
HTR2B P41595 2/20 0.50
HTR2A P28223 1/20 0.50
NR4A2 P43354 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A1 P04798 1/20 0.48
MPO P05164 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
NQO2 P16083 1/20 0.48
RAB9A P51151 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL7057489 0.91 MTNR1A (0.49) MTNR1AMTNR1BHTR2CTRPV1KDM4E
SCHEMBL7055786 0.90 MTNR1A (0.75) MTNR1AMTNR1BHTR2CTRPV1HTR2B
SCHEMBL7055084 0.81 MTNR1A (0.54) MTNR1AMTNR1BHTR2CTRPV1HTR2B
SCHEMBL28380299 0.81 MTNR1A (0.57) MTNR1AMTNR1BHTR2CTRPV1HTR2B
SCHEMBL3377140 0.81 MTNR1A (0.75) MTNR1AMTNR1BHTR2CTRPV1HTR2B
SCHEMBL3376956 0.81 MTNR1A (0.75) MTNR1AMTNR1BHTR2CTRPV1HTR2B
SCHEMBL3376958 0.81 MTNR1A (0.75) MTNR1AMTNR1BHTR2CTRPV1HTR2B
SCHEMBL7060010 0.80 MTNR1A (0.50) MTNR1AMTNR1BHTR2CHTR2BHTR1A
SCHEMBL9672135 0.78 MTNR1A (0.53) MTNR1AMTNR1BHTR2CTRPV1HTR2B
SCHEMBL9671901 0.78 HTR2A (0.71) MTNR1AMTNR1BHTR2CHTR2BHTR2A

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