SCHEMBL7050429

SCHEMBL7050429

CCC(=O)NCC(CC)c1cn(C(=O)c2ccccc2C)c2ccc(OC)cc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.53
MTNR1B P49286 14/20 0.53
HTR2C P28335 3/20 0.48
AKR1C3 P42330 5/20 0.42
AKR1C2 P52895 2/20 0.41
HTR6 P50406 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
SCHEMBL7057889 0.74 MTNR1A (0.42) MTNR1AMTNR1BHTR2CAKR1C3
SCHEMBL7058360 0.72 MTNR1B (0.43) MTNR1AMTNR1BHTR2CAKR1C3
SCHEMBL7057705 0.71 MTNR1A (0.60) MTNR1AMTNR1BHTR2C
SCHEMBL7060018 0.71 MTNR1A (0.42) MTNR1AMTNR1BHTR2CAKR1C3
SCHEMBL8711703 0.68 PLA2G2A (0.41) MTNR1AMTNR1BAKR1C3AKR1C2HTR6
SCHEMBL8711700 0.66 PLA2G2A (0.46) MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL7053345 0.66 MTNR1A (0.47) MTNR1AMTNR1BHTR2CAKR1C3
SCHEMBL8714872 0.65 PLA2G2A (0.39)
SCHEMBL3834460 0.65 MTNR1A (1.00) MTNR1AMTNR1BHTR2C
SCHEMBL3831576 0.65 MTNR1A (1.00) MTNR1AMTNR1BHTR2C

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