SCHEMBL7055230

SCHEMBL7055230

CCOc1cc2c(C(CC)CNC(C)=O)c[nH]c2c(F)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.44
MTNR1B P49286 8/20 0.44
RORC P51449 1/20 0.36
ACACB O00763 2/20 0.35
TNF P01375 1/20 0.34
P2RX7 Q99572 2/20 0.33
HTR2B P41595 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL7055582 0.84 MTNR1A (0.39) MTNR1AMTNR1BACACBHTR2BALDH1A1
SCHEMBL7050446 0.82 MTNR1A (0.52) MTNR1AMTNR1BHTR2BMEN1LMNA
SCHEMBL7054082 0.80 MTNR1A (0.66) MTNR1AMTNR1BTNFHTR2BMEN1
SCHEMBL8822760 0.80 MTNR1A (0.60) MTNR1AMTNR1BHTR2BMEN1LMNA
SCHEMBL8822781 0.78 MTNR1A (0.41) MTNR1AMTNR1BHTR2BMEN1LMNA
SCHEMBL7055069 0.78 MTNR1A (0.40) MTNR1AMTNR1BACACBTNFHTR2B
SCHEMBL7057865 0.78 MTNR1A (0.47) MTNR1AMTNR1BHTR2BMEN1LMNA
SCHEMBL7056330 0.76 MTNR1A (0.45) MTNR1AMTNR1BTNFHTR2BMEN1
SCHEMBL7054074 0.76 MTNR1A (0.39) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7055536 0.75 MTNR1A (0.48) MTNR1AMTNR1BHTR2BMEN1CYP1A2

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