SCHEMBL7357633

SCHEMBL7357633

CC1(C)CC(=O)N(CCC(Oc2cccc(I)c2)c2ccc(I)cc2F)C(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.34
HTR7 P34969 2/20 0.34
DRD2 P14416 1/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D1 P54289 3/20 0.33
PLA2G7 Q13093 2/20 0.33
SLC6A4 P31645 2/20 0.31
DRD3 P35462 1/20 0.31
GAA P10253 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7346809 0.92 NPC1 (0.36) HTR1AHTR7DRD2HTR2CHRH1
SCHEMBL7354691 0.89 PLA2G7 (0.36) HTR1AHTR7DRD2HTR2CHRH1
SCHEMBL7356365 0.88 POLB (0.34) CACNA2D1SLC6A4MEN1KMT2A
SCHEMBL7347174 0.87 PLA2G7 (0.35) HTR1AHTR7DRD2HTR2CHRH1
SCHEMBL7350559 0.84 SLC6A4 (0.40) HTR1AHTR7DRD2HTR2CHRH1
SCHEMBL7348954 0.81 SLC6A4 (0.32) HTR1AHTR7CACNA2D1SLC6A4
SCHEMBL7356394 0.81 L3MBTL1 (0.44) HSD17B10MEN1KMT2A
SCHEMBL7356312 0.80 ALDH1A1 (0.41) CACNA2D1GAAHSD17B10MEN1KMT2A
SCHEMBL7350899 0.79 HTR1A (0.36) HTR1AHTR7DRD2HTR2CHRH1
SCHEMBL7350636 0.78 POLB (0.33) HTR7HTR2CCACNA2D1PLA2G7SLC6A4

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