SCHEMBL6964332

SCHEMBL6964332

C1=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CCC(Nc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.59
HTR1B P28222 20/20 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
SCHEMBL6973431 0.82 HTR1D (0.66) HTR1DHTR1B
SCHEMBL6971174 0.76 HTR1D (0.72) HTR1DHTR1B
SCHEMBL6965775 0.76 HTR1D (0.68) HTR1DHTR1B
SCHEMBL6973429 0.74 HTR1D (0.73) HTR1DHTR1B
SCHEMBL6964335 0.74 HTR1D (0.55) HTR1DHTR1B
SCHEMBL708228 0.74 ADRA2A (0.67)
SCHEMBL7006008 0.71 HTR1D (0.62) HTR1DHTR1B
SCHEMBL7010593 0.71 HTR1D (0.61) HTR1DHTR1B
SCHEMBL6962933 0.68 HTR1D (0.69) HTR1DHTR1B
SCHEMBL8686765 0.68 HTR1D (1.00) HTR1DHTR1B

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-0944595-B1 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-10-01 EP claimed