SCHEMBL6965512

SCHEMBL6965512

CN1CC=C(c2c[nH]c3ccc(C4(O)CCC(N)CC4)cc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.59

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
SCHEMBL6965518 0.89 SLC6A4 (0.65) SLC6A4
SCHEMBL7010984 0.81 SLC6A4 (0.53) SLC6A4
SCHEMBL7006099 0.81 SLC6A4 (0.53) SLC6A4
SCHEMBL6963944 0.79 SLC6A4 (0.64) SLC6A4
SCHEMBL7479356 0.76 SLC6A4 (0.76) SLC6A4
SCHEMBL5367487 0.76 SLC6A4 (0.76) SLC6A4
SCHEMBL13323539 0.75 SLC6A4 (1.00) SLC6A4
SCHEMBL3379399 0.75 SLC6A4 (0.71) SLC6A4
Ammonia Solution, Strong SCHEMBL1122493 0.75 SLC6A4 (0.74) SLC6A4
SCHEMBL6997941 0.74 SLC6A4 (0.41) SLC6A4

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 4 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
US-5998438-A SEROTONIN RECEPTOR ANTAGONIST; HEADACHE THERAPY ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1999-12-07 US 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