SCHEMBL9526594

SCHEMBL9526594

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 9/20 0.77
HTR1B P28222 9/20 0.77
HTR1A P08908 2/20 0.77
NMT2 O60551 1/20 0.49
NMT1 P30419 1/20 0.49
APP P05067 2/20 0.49
HTR2C P28335 3/20 0.46
HTR6 P50406 1/20 0.46
ADRB2 P07550 1/20 0.46
HTR1F P30939 2/20 0.43
HTR2A P28223 1/20 0.43
HTR1E P28566 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR3A P46098 1/20 0.43
HTR5A P47898 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40

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
Hydrochloric Acid SCHEMBL9526972 0.99 HTR1D (0.76) HTR1DHTR1BHTR1ANMT2NMT1
SCHEMBL9526685 0.89 HTR1D (0.62) HTR1DHTR1BHTR1ANMT2NMT1
SCHEMBL14186871 0.89 HTR1B (0.77) HTR1DHTR1BHTR1ANMT2NMT1
Naratriptan SCHEMBL29403931 0.87 HTR1D (1.00) HTR1DHTR1BHTR1AAPPHTR6
Naratriptan SCHEMBL68753 0.87 HTR1D (1.00) HTR1DHTR1BHTR1AAPPHTR6
Naratriptan SCHEMBL30903899 0.86 HTR1D (0.98) HTR1DHTR1BHTR1AAPPHTR6
Naratriptan SCHEMBL12803311 0.86 HTR1D (0.98) HTR1DHTR1BHTR1AAPPHTR6
Naratriptan SCHEMBL41527 0.86 HTR1D (0.98) HTR1DHTR1BHTR1AAPPHTR6
Naratriptan SCHEMBL28587084 0.86 HTR1D (0.98) HTR1DHTR1BHTR1AAPPHTR6
Naratriptan SCHEMBL41528 0.85 HTR1D (0.96) 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 8 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-0303506-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP claimed
EP-0303507-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP claimed
EP-2467373-B1 A PROCESS FOR THE SYNTHESIS OF NARATRIPTAN CIPLA LTD (IN) 2013-10-02 EP disclosed
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