SCHEMBL6965518

SCHEMBL6965518

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

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.65
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
HTR1A P08908 1/20 0.58
ALOX15 P16050 1/20 0.58
HTR6 P50406 1/20 0.58
HSD17B10 Q99714 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL6965512 0.89 SLC6A4 (0.59) SLC6A4
SCHEMBL7006099 0.84 SLC6A4 (0.53) SLC6A4
SCHEMBL7010984 0.84 SLC6A4 (0.53) SLC6A4
SCHEMBL6997941 0.80 SLC6A4 (0.41) SLC6A4
SCHEMBL5367487 0.80 SLC6A4 (0.76) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL13323539 0.80 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL4673448 0.77 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7479356 0.77 SLC6A4 (0.76) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL1275594 0.77 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL3130981 0.77 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A

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