SCHEMBL7056844

SCHEMBL7056844

CCOc1cc2c(C(C)CNC(=O)CC)c[nH]c2c(Cl)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.44
MTNR1B P49286 8/20 0.44
P2RX7 Q99572 2/20 0.35
ADRB3 P13945 1/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 2/20 0.32
THRB P10828 2/20 0.31
THRA P10827 1/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 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
SCHEMBL8822702 0.89 MTNR1A (0.43) MTNR1AMTNR1BSMN1; SMN2TRPV1
SCHEMBL7055344 0.84 MTNR1A (0.54) MTNR1AMTNR1BTRPV1
SCHEMBL7055761 0.80 MTNR1A (0.52) MTNR1AMTNR1BL3MBTL1ALDH1A1TRPV1
SCHEMBL7054305 0.79 MTNR1A (0.47) MTNR1AMTNR1BRXFP1TRPV1
SCHEMBL7058346 0.78 MTNR1A (0.50) MTNR1AMTNR1BHPGDSMN1; SMN2NPSR1
SCHEMBL7058314 0.77 MTNR1A (0.35) MTNR1AMTNR1BADRB3HPGDSMN1; SMN2
SCHEMBL7051523 0.76 MTNR1A (0.62) MTNR1AMTNR1BTRPV1
SCHEMBL7051614 0.74 MTNR1A (0.65) MTNR1AMTNR1BHPGDNPSR1TRPV1
SCHEMBL7056295 0.73 MTNR1A (0.80) MTNR1AMTNR1BHPGDNPSR1TRPV1
SCHEMBL8822773 0.73 MTNR1A (0.35) MTNR1AMTNR1BHPGDSMN1; SMN2TRPV1

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