SCHEMBL7272916

SCHEMBL7272916

Cc1ccc2c(c1)c(C(OC(=O)/C=C\C(=O)OC(C(=O)Cc1nc[nH]c1C)c1cn(C)c3ccc(C)cc13)C(=O)Cc1nc[nH]c1C)cn2C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
GABRR1 P24046 1/20 0.37
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
F2 P00734 1/20 0.30
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7274925 0.93 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7297785 0.91 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7265491 0.81 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7273229 0.75 KDM4E (0.36) HTR3AMTNR1AMTNR1BKDM4EALDH1A1
Maleic Acid SCHEMBL7272908 0.74 HTR3A (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL7272924 0.74 HTR3A (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9656646 0.73 GABRR1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
Maleic Acid SCHEMBL7272911 0.72 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
Maleic Acid SCHEMBL7274912 0.68 HTR3A (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL7274930 0.68 HTR3A (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4808581-A ANXIOLYTIC, ANTIEMETIC, TREATMENT OF PSYCHOLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 1989-02-28 US disclosed
EP-0276163-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1988-07-27 EP disclosed