SCHEMBL7053413

SCHEMBL7053413

CCCC(CNC(=O)CC)c1c[nH]c2c(F)c(Cl)c(OC(C)C)cc12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.35
MTNR1B P49286 7/20 0.35
GCGR P47871 2/20 0.32
BRPF1 P55201 1/20 0.31
HTR2C P28335 2/20 0.31
ADRB3 P13945 1/20 0.30

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
SCHEMBL7057865 0.74 MTNR1A (0.47) MTNR1AMTNR1BHTR2C
SCHEMBL7055230 0.73 MTNR1A (0.44) MTNR1AMTNR1BHTR2CADRB3
SCHEMBL7056903 0.73 MTNR1B (0.41) MTNR1AMTNR1BHTR2C
SCHEMBL7054074 0.72 MTNR1A (0.39) MTNR1AMTNR1B
SCHEMBL7055344 0.72 MTNR1A (0.54) MTNR1AMTNR1BHTR2C
SCHEMBL7056833 0.70 MTNR1A (0.58) MTNR1AMTNR1BADRB3
SCHEMBL7054082 0.70 MTNR1A (0.66) MTNR1AMTNR1B
SCHEMBL7056844 0.69 MTNR1A (0.44) MTNR1AMTNR1BADRB3
SCHEMBL8822702 0.69 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL8822694 0.69 MTNR1A (0.39) MTNR1AMTNR1B

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