SCHEMBL7888564

SCHEMBL7888564

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

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.72
MTNR1B P49286 11/20 0.72
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
NQO2 P16083 2/20 0.49
HTR2B P41595 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
APEX1 P27695 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL7883115 0.91 MTNR1A (0.80) MTNR1AMTNR1BHSD17B10TP53NQO2
SCHEMBL677575 0.84 MTNR1A (1.00) MTNR1AMTNR1BHSD17B10TP53NQO2
SCHEMBL18239788 0.82 MTNR1A (0.75) MTNR1AMTNR1BHSD17B10NQO2HTR2B
SCHEMBL11615487 0.77 MTNR1A (1.00) MTNR1AMTNR1BHSD17B10TP53NQO2
SCHEMBL7894816 0.77 MTNR1A (0.80) MTNR1AMTNR1BHSD17B10TP53NQO2
SCHEMBL8822711 0.76 MTNR1A (0.66) MTNR1AMTNR1BHSD17B10NQO2HTR2B
SCHEMBL18239761 0.75 MTNR1A (0.60) MTNR1AMTNR1BHSD17B10TP53NQO2
SCHEMBL3262940 0.73 ALDH1A1 (0.56) MTNR1AMTNR1BHSD17B10TP53MEN1
SCHEMBL31543713 0.72 MTNR1A (1.00) MTNR1AMTNR1BHSD17B10NQO2MEN1
SCHEMBL8946916 0.72 MTNR1A (1.00) MTNR1AMTNR1BHSD17B10NQO2MEN1

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
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-4614807-A ANTIFERTILITY AGENTS ELI LILLY AND COMPANY (US) 1986-09-30 US disclosed