SCHEMBL7056049

SCHEMBL7056049

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.61
MTNR1B P49286 12/20 0.61
TRPV1 Q8NER1 2/20 0.52
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL7056044 0.87 MTNR1A (0.61) MTNR1AMTNR1BTRPV1HTR2AHTR2C
SCHEMBL9671722 0.76 MTNR1A (1.00) MTNR1AMTNR1BTRPV1HTR2AHTR2C
SCHEMBL9671286 0.76 MTNR1A (1.00) MTNR1AMTNR1BTRPV1HTR2AHTR2C
SCHEMBL7055939 0.76 MTNR1A (1.00) MTNR1AMTNR1BTRPV1HTR2AHTR2C
SCHEMBL7057928 0.74 MTNR1A (0.42) MTNR1AMTNR1BTRPV1HTR2C
SCHEMBL7055753 0.74 MTNR1A (0.51) MTNR1AMTNR1BTRPV1HTR2B
SCHEMBL7051405 0.74 MTNR1A (0.78) MTNR1AMTNR1BTRPV1HTR2B
SCHEMBL7057717 0.72 MTNR1A (0.53) MTNR1AMTNR1BTRPV1
SCHEMBL7057489 0.71 MTNR1A (0.49) MTNR1AMTNR1BTRPV1HTR2CTHRA
SCHEMBL7057705 0.71 MTNR1A (0.60) MTNR1AMTNR1BTRPV1HTR2AHTR2C

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 14 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
CN-1100533-C Melatonin derivatives for use in terating desynchronization disorders LILLY CO ELI (US) 2003-02-05 CN disclosed
CN-1092958-C Melatonin derivatives for use in treating sleep disorders LILLY CO ELI (US) 2002-10-23 CN 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
CN-1191484-A Melatonin agonists for treating benign prostatic hyperplasia LILLY CO ELI (US) 1998-08-26 CN 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
CN-1107701-A Melatonin derivatives for use in treating sleep disorders LILLY CO ELI (US) 1995-09-06 CN disclosed
CN-1107700-A Melatonin derivatives for use in terating desynchronization disorders LILLY CO ELI (US) 1995-09-06 CN 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