SCHEMBL7883115

SCHEMBL7883115

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

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.80
MTNR1B P49286 11/20 0.80
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NQO2 P16083 2/20 0.47
HTR2B P41595 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
SLC6A4 P31645 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL7888564 0.91 MTNR1A (0.72) MTNR1AMTNR1BTP53HSD17B10NQO2
SCHEMBL677575 0.89 MTNR1A (1.00) MTNR1AMTNR1BTP53HSD17B10NQO2
SCHEMBL8822711 0.84 MTNR1A (0.66) MTNR1AMTNR1BHSD17B10NQO2HTR2B
SCHEMBL11615487 0.80 MTNR1A (1.00) MTNR1AMTNR1BTP53HSD17B10NQO2
SCHEMBL18239788 0.80 MTNR1A (0.75) MTNR1AMTNR1BHSD17B10NQO2HTR2B
SCHEMBL8822717 0.78 MTNR1A (0.58) MTNR1AMTNR1BNQO2HTR2BMEN1
SCHEMBL7883051 0.77 MTNR1A (0.77) MTNR1AMTNR1BHSD17B10
SCHEMBL7894816 0.75 MTNR1A (0.80) MTNR1AMTNR1BTP53HSD17B10NQO2
SCHEMBL10905707 0.74 MTNR1A (0.65) MTNR1AMTNR1BHSD17B10NQO2HTR2B
SCHEMBL18239761 0.73 MTNR1A (0.60) MTNR1AMTNR1BTP53HSD17B10NQO2

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 7 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
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