SCHEMBL7345371

SCHEMBL7345371

O=C1CCC(=O)N1CCC(Oc1cccc(I)c1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SLC6A4 P31645 3/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
HTR1A P08908 1/20 0.36
SLC6A9 P48067 3/20 0.36
HTR2A P28223 3/20 0.36
MAPT P10636 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
TACR1 P25103 2/20 0.36
HRH3 Q9Y5N1 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL7350559 0.88 SLC6A4 (0.40) KMT2AMEN1SLC6A4ALDH1A1HTR1A
SCHEMBL7350636 0.85 POLB (0.33) POLBKMT2AMEN1SLC6A4ALDH1A1
SCHEMBL7352863 0.85 ALDH1A1 (0.48) POLBKMT2ASLC6A4ALDH1A1MAPT
SCHEMBL7352429 0.84 POLB (0.32) POLBKMT2AMEN1SLC6A4ALDH1A1
SCHEMBL7356365 0.83 POLB (0.34) POLBKMT2AMEN1SLC6A4ALDH1A1
SCHEMBL7346562 0.81 SLC6A4 (0.49) SLC6A4HTR1AHTR2AHRH3
SCHEMBL7356312 0.79 ALDH1A1 (0.41) POLBKMT2AMEN1ALDH1A1HTT
SCHEMBL7348352 0.79 SLC6A4 (0.44) SLC6A4ALDH1A1SLC6A9MAPTCYP2D6
SCHEMBL7347515 0.76 HTR1A (0.43) SLC6A4HTR1AHTR2AHRH3
SCHEMBL7348933 0.76 HTR1A (0.42) SLC6A4HTR1AHTR2ACYP2D6HRH3

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