SCHEMBL9526685

SCHEMBL9526685

CCNS(=O)(=O)CCc1ccc2[nH]cc(C3CCNCC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.62
HTR1B P28222 7/20 0.62
HTR1A P08908 1/20 0.62
NMT2 O60551 1/20 0.48
NMT1 P30419 1/20 0.48
APP P05067 2/20 0.47
HTR6 P50406 1/20 0.45
HTR2C P28335 2/20 0.44
ADRB2 P07550 1/20 0.44
HTR1F P30939 2/20 0.40
SLC6A4 P31645 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL9526594 0.89 HTR1D (0.77) HTR1DHTR1BHTR1ANMT2NMT1
Hydrochloric Acid SCHEMBL9526972 0.88 HTR1D (0.76) HTR1DHTR1BHTR1ANMT2NMT1
SCHEMBL14186871 0.81 HTR1B (0.77) HTR1DHTR1BHTR1ANMT2NMT1
Naratriptan SCHEMBL68753 0.77 HTR1D (1.00) HTR1DHTR1BHTR1AAPPHTR6
Naratriptan SCHEMBL29403931 0.77 HTR1D (1.00) HTR1DHTR1BHTR1AAPPHTR6
SCHEMBL18409078 0.76 APP (0.49) HTR1DHTR1BHTR1ANMT2NMT1
Naratriptan SCHEMBL12803311 0.76 HTR1D (0.98) HTR1DHTR1BHTR1AAPPHTR6
Naratriptan SCHEMBL30903899 0.76 HTR1D (0.98) HTR1DHTR1BHTR1AAPPHTR6
Naratriptan SCHEMBL41527 0.76 HTR1D (0.98) HTR1DHTR1BHTR1AAPPHTR6
Naratriptan SCHEMBL28587084 0.76 HTR1D (0.98) HTR1DHTR1BHTR1AAPPHTR6

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
EP-0303507-B1 INDOLE DERIVATIVES GLAXO GROUP LTD (GB) 1993-07-28 EP claimed
US-4997841-A Indole derivatives GLAXO GROUP LIMITED (GB) 1991-03-05 US claimed
EP-0303507-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP claimed
EP-0303506-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP claimed
EP-0303507-B1 INDOLE DERIVATIVES GLAXO GROUP LTD (GB) 1993-07-28 EP disclosed
US-4997841-A Indole derivatives GLAXO GROUP LIMITED (GB) 1991-03-05 US disclosed
EP-0303507-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP disclosed