SCHEMBL7350559

SCHEMBL7350559

CC1(C)CC(=O)N(CCC(Oc2cccc(I)c2)c2ccc(F)cc2)C(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
PLA2G7 Q13093 2/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC6A9 P48067 3/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
HTR1A P08908 3/20 0.35
CACNA2D1 P54289 3/20 0.35
HTR7 P34969 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2C P28335 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
TACR1 P25103 1/20 0.33

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
SCHEMBL7345371 0.88 POLB (0.39) SLC6A4MEN1KMT2AALDH1A1SLC6A9
SCHEMBL7354691 0.88 PLA2G7 (0.36) SLC6A4PLA2G7HTR1ACACNA2D1HTR7
SCHEMBL7347174 0.86 PLA2G7 (0.35) SLC6A4PLA2G7HTR1ACACNA2D1HTR7
SCHEMBL7357633 0.84 HTR1A (0.34) SLC6A4PLA2G7MEN1KMT2AHTR1A
SCHEMBL7346809 0.81 NPC1 (0.36) PLA2G7ALDH1A1HTR1ACACNA2D1HTR7
SCHEMBL7347515 0.81 HTR1A (0.43) SLC6A4HTR1ADRD2HRH3
SCHEMBL7352863 0.81 ALDH1A1 (0.48) SLC6A4KMT2AALDH1A1MAPT
SCHEMBL7346562 0.77 SLC6A4 (0.49) SLC6A4HTR1AHRH3
SCHEMBL7350636 0.77 POLB (0.33) SLC6A4PLA2G7MEN1KMT2AALDH1A1
SCHEMBL7352429 0.75 POLB (0.32) SLC6A4PLA2G7MEN1KMT2AALDH1A1

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