SCHEMBL7055053

SCHEMBL7055053

CCCC(=O)NCC(c1c[nH]c2c(Br)c(Br)c(OC)cc12)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.42
MTNR1B P49286 10/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
TRPV1 Q8NER1 2/20 0.35

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
SCHEMBL8822773 0.89 MTNR1A (0.35) MTNR1AMTNR1BSMN1; SMN2HDAC3HDAC4
SCHEMBL7058314 0.82 MTNR1A (0.35) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7058321 0.75 MTNR1A (0.49) MTNR1AMTNR1BTRPV1
SCHEMBL7055066 0.73 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL7054305 0.73 MTNR1A (0.47) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL7058302 0.72 MTNR1A (0.42) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL8822702 0.71 MTNR1A (0.43) MTNR1AMTNR1BSMN1; SMN2TRPV1
SCHEMBL7054074 0.69 MTNR1A (0.39) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7051405 0.68 MTNR1A (0.78) MTNR1AMTNR1BSMN1; SMN2TRPV1
SCHEMBL7051614 0.68 MTNR1A (0.65) MTNR1AMTNR1BTRPV1

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