Sugi Predict

Sugi Predict / Compounds / Octanedioate

Octanedioate

Octanedioate

SCHEMBL7847149

C/C=C/CNC(=O)Nc1ccc2[nH]cc(C3CCN(CCCC)CC3)c2n1.O=C(O)CCCCCCC(=O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 20/20 0.60
▸ HTR1D P28221 11/20 0.60
▸ HTR1B P28222 10/20 0.60
▸ HTR1A P08908 8/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ HTR1E P28566 1/20 0.52
▸ HTR6 P50406 1/20 0.52
▸ HTR4 Q13639 1/20 0.52

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
Octanedioate SCHEMBL7013522 1.00 HTR1F (0.60) HTR1FHTR1DHTR1BHTR1AHTR2A
Succinic Acid SCHEMBL7016753 0.84 HTR1F (0.64) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7013589 0.80 HTR1F (0.80) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7481557 0.78 HTR1D (0.60) HTR1FHTR1DHTR1BHTR1A
SCHEMBL7481562 0.78 HTR1D (0.60) HTR1FHTR1DHTR1BHTR1A
SCHEMBL7013362 0.78 HTR1F (0.64) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7004987 0.77 HTR1F (0.82) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7013905 0.77 HTR1F (0.70) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL8385396 0.77 HTR1F (0.56) HTR1FHTR1DHTR1BHTR1AHTR2A
Sebacic Acid SCHEMBL7012898 0.77 HTR1F (0.55) HTR1FHTR1DHTR1BHTR1AHTR2A

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
EP-1082958-A2 5-HT1F agonists in chronic pain ELI LILLY AND COMPANY (US) 2001-03-14 — — EP disclosed