SCHEMBL7051696

SCHEMBL7051696

COc1cc2c(C(C)CNC(C)=O)c[nH]c2c(F)c1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.64
MTNR1B P49286 15/20 0.64
HTR2B P41595 2/20 0.43
TRPV1 Q8NER1 2/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
APEX1 P27695 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38

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
SCHEMBL7057879 0.91 MTNR1A (0.65) MTNR1AMTNR1BHTR2BTRPV1CYP1A2
SCHEMBL7054082 0.90 MTNR1A (0.66) MTNR1AMTNR1BHTR2BTRPV1CYP1A2
SCHEMBL7058321 0.87 MTNR1A (0.49) MTNR1AMTNR1BTRPV1
SCHEMBL7057865 0.85 MTNR1A (0.47) MTNR1AMTNR1BHTR2BCYP1A2CYP3A4
SCHEMBL8822728 0.85 MTNR1A (0.57) MTNR1AMTNR1BHTR2BTRPV1CYP1A2
SCHEMBL4966587 0.85 MTNR1A (0.69) MTNR1AMTNR1BHTR2BTRPV1CYP1A2
SCHEMBL4963214 0.82 MTNR1A (0.76) MTNR1AMTNR1BHTR2BTRPV1CYP1A2
SCHEMBL7055900 0.82 MTNR1A (0.65) MTNR1AMTNR1BHTR2BTRPV1CYP1A2
SCHEMBL18222529 0.82 MTNR1A (0.76) MTNR1AMTNR1BHTR2BTRPV1CYP1A2
SCHEMBL7051614 0.82 MTNR1A (0.65) MTNR1AMTNR1BHTR2BTRPV1CYP1A2

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 10 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
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