SCHEMBL8946990

SCHEMBL8946990

COc1cc2c(CC#N)c(Br)[nH]c2cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.55
MTNR1B P49286 3/20 0.55
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
ALK Q9UM73 1/20 0.38
CSNK2A1 P68400 3/20 0.37
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
AXL P30530 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 2/20 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
SCHEMBL29555456 0.76 MTNR1A (0.53) MTNR1AMTNR1BLMNAL3MBTL1GRIN2D
SCHEMBL19838475 0.76 MTNR1A (0.53) MTNR1AMTNR1BLMNAL3MBTL1GRIN2D
SCHEMBL31744504 0.74 GRIN2D (0.60) MTNR1AMTNR1BLMNAL3MBTL1GRIN2D
SCHEMBL4393644 0.71 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL2858051 0.68 MTNR1A (0.62) MTNR1AMTNR1BLMNAL3MBTL1GRIN2D
SCHEMBL6669729 0.67 EGFR (0.63) LMNAKDM4EALDH1A1HTTGAA
SCHEMBL4256786 0.67 GRIN2D (0.60) MTNR1AMTNR1BLMNAL3MBTL1GRIN2D
SCHEMBL31609245 0.67 GRIN2D (0.60) MTNR1AMTNR1BLMNAL3MBTL1GRIN2D
SCHEMBL7086829 0.67 NPSR1 (0.59) MTNR1AMTNR1BLMNAL3MBTL1GRIN2D
SCHEMBL4293204 0.65 HTR2A (0.47) HTR2AHTR2CTAAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552428-A ANTIARRHYTHMIA AGENTS FOR CARDIOVASCULAR DISORDERS USING MELATONIN DERIVATIVES INSTITUTO FARMACOLOGICO LOMBARDO-IFLO, S.A.S. (IT) 1996-09-03 US disclosed