Sugi Predict

Sugi Predict / Compounds / SCHEMBL6962932

SCHEMBL6962932

SCHEMBL6962932

c1cc2[nH]cc(CCC3CCCN3)c2cc1C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 6/20 0.66
▸ HTR1D P28221 2/20 0.66
▸ HTR6 P50406 10/20 0.47
▸ TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL6974695 0.92 SLC6A4 (0.65) SLC6A4HTR1DHTR6
SCHEMBL6964357 0.90 SLC6A4 (0.62) SLC6A4HTR1DHTR6
SCHEMBL6960595 0.87 SLC6A4 (0.59) SLC6A4HTR1DHTR6
SCHEMBL6969904 0.83 SLC6A4 (0.60) SLC6A4HTR1DHTR6
SCHEMBL6968677 0.81 SLC6A4 (0.70) SLC6A4HTR1DHTR6
SCHEMBL8506913 0.81 SLC6A4 (0.70) SLC6A4HTR1DHTR6
SCHEMBL8507360 0.81 SLC6A4 (0.66) SLC6A4HTR1DHTR6
SCHEMBL6973292 0.80 HTR1D (1.00) HTR1DHTR6
SCHEMBL6968093 0.80 SLC6A4 (0.51) SLC6A4HTR1DHTR6
SCHEMBL8506286 0.80 SLC6A4 (0.67) SLC6A4HTR1DHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944595-B1 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-10-01 — — EP claimed
EP-0944595-B1 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-10-01 — — EP disclosed
US-5998438-A SEROTONIN RECEPTOR ANTAGONIST; HEADACHE THERAPY ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1999-12-07 — — US disclosed