SCHEMBL7056854

SCHEMBL7056854

CCOc1cc2c(C(C)CNC(=O)CC)cn(C(=O)c3ccc(Br)cc3)c2c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.42
MTNR1A P48039 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
AGPAT2 O15120 1/20 0.31

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
SCHEMBL7057680 0.78 MTNR1A (0.42) MTNR1BMTNR1ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8712027 0.73 SMN1; SMN2 (0.36) MTNR1BL3MBTL1SMN1; SMN2HPGDNPSR1
SCHEMBL8712031 0.72 POLB (0.31) POLBLMNAKMT2AMEN1
SCHEMBL7056844 0.68 MTNR1A (0.44) MTNR1BMTNR1AL3MBTL1SMN1; SMN2HPGD
SCHEMBL7055761 0.64 MTNR1A (0.52) MTNR1BMTNR1AL3MBTL1LMNATSHR
SCHEMBL6787854 0.64 SMN1; SMN2 (0.47) MTNR1BMTNR1AL3MBTL1SMN1; SMN2HPGD
SCHEMBL8712034 0.64 LMNA (0.33) SMN1; SMN2NPSR1LMNAMAPT
SCHEMBL7055344 0.62 MTNR1A (0.54) MTNR1BMTNR1A
SCHEMBL7056295 0.58 MTNR1A (0.80) MTNR1BMTNR1AHPGDNPSR1LMNA
SCHEMBL16817703 0.57 POLB (0.56) L3MBTL1SMN1; SMN2POLBLMNAKMT2A

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 8 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
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