SCHEMBL7052855

SCHEMBL7052855

CCOc1ccc2[nH]cc(C(C)CNC=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
TRPV1 Q8NER1 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTR7 P34969 1/20 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
SCHEMBL7051639 0.92 MTNR1A (0.52) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL8822709 0.84 MTNR1A (0.68) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL7055084 0.77 MTNR1A (0.54) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL17949489 0.77 HTR2A (0.58) MTNR1AMTNR1BHTR2AHTR2BKDM4E
SCHEMBL31134129 0.74 HTR2A (0.50) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL7056044 0.74 MTNR1A (0.61) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL4607814 0.73 ALDH1A1 (0.70) MTNR1AMTNR1BSMN1; SMN2KDM4EPOLB
SCHEMBL7053288 0.72 MTNR1A (0.52) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL13814483 0.72 HTR1B (0.56) HTR2AHTR2CHTR2BSMN1; SMN2KDM4E
SCHEMBL9671722 0.71 MTNR1A (1.00) MTNR1AMTNR1BHTR2AHTR2CHTR2B

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-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
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