SCHEMBL7347174

SCHEMBL7347174

CC1(C)CC(=O)N(CCC(Oc2cccc(I)c2)c2ccc(F)cc2Br)C(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.35
HTR1A P08908 4/20 0.33
HTR7 P34969 2/20 0.33
DRD2 P14416 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
GPR139 Q6DWJ6 1/20 0.32
SLC6A4 P31645 2/20 0.31
APLNR P35414 1/20 0.31
DRD3 P35462 1/20 0.30
CACNA2D1 P54289 1/20 0.30

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
SCHEMBL7354691 0.90 PLA2G7 (0.36) PLA2G7HTR1AHTR7DRD2HTR2C
SCHEMBL7352429 0.90 POLB (0.32) PLA2G7GPR139SLC6A4APLNR
SCHEMBL7346809 0.88 NPC1 (0.36) PLA2G7HTR1AHTR7DRD2HTR2C
SCHEMBL7357633 0.87 HTR1A (0.34) PLA2G7HTR1AHTR7DRD2HTR2C
SCHEMBL7350559 0.86 SLC6A4 (0.40) PLA2G7HTR1AHTR7DRD2HTR2C
SCHEMBL7349866 0.83 L3MBTL1 (0.41)
SCHEMBL7349930 0.82 HTR1A (0.33) HTR1AHTR7DRD2HTR2CSLC6A4
SCHEMBL7350636 0.80 POLB (0.33) PLA2G7HTR7HTR2CSLC6A4CACNA2D1
SCHEMBL7353677 0.80 SLC6A4 (0.38) HTR1AHTR7DRD2HTR2CSLC6A4
SCHEMBL7353137 0.78 SLC6A4 (0.35) SLC6A4APLNR

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-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP claimed
EP-0972764-A1 Aminoalcohols and aminoketones as CNS active agents Universita Degli Studi di Firenze (IT) 2000-01-19 EP disclosed