SCHEMBL7002497

SCHEMBL7002497

FC(F)(F)c1ccc2[nH]cc(C3CCN4CCCC4C3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.61
IDO1 P14902 1/20 0.46
HTR1B P28222 2/20 0.42
HTR1A P08908 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HTR1D P28221 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
THPO P40225 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
APP P05067 1/20 0.41

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
SCHEMBL7011235 0.84 SLC6A4 (0.84) SLC6A4HTR1BHTR1ADRD1SLC6A2
SCHEMBL8383499 0.84 SLC6A4 (0.51) SLC6A4HTR1BHTR1AHTR1D
SCHEMBL7003242 0.83 SLC6A4 (0.57) SLC6A4HTR1BHTR1AHTR1DCYP1A2
SCHEMBL6642008 0.82 HTR1D (0.63) SLC6A4HTR1BHTR1DCYP1A2CYP3A4
SCHEMBL6996942 0.82 SLC6A4 (0.61) SLC6A4IDO1HTR1BHTR1DCYP1A2
SCHEMBL8381443 0.82 CYP1A2 (0.63) SLC6A4HTR1BHTR1AHTR1DCYP1A2
SCHEMBL6995996 0.80 SLC6A4 (0.59) SLC6A4HTR1BHTR1DCYP1A2CYP3A4
SCHEMBL7014117 0.77 SLC6A4 (0.56) SLC6A4HTR1BHTR1AHTR1DCYP1A2
SCHEMBL7014120 0.77 SLC6A4 (0.56) SLC6A4HTR1BHTR1AHTR1DCYP1A2
SCHEMBL6997701 0.77 HTR1D (0.57) SLC6A4HTR1BHTR1AHTR1DCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114049-B1 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-03-19 EP claimed
EP-1114049-B1 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-03-19 EP disclosed