SCHEMBL7346830

SCHEMBL7346830

Fc1cc(I)ccc1C(CCN1CCCC1)Oc1cccc(I)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.39
HRH3 Q9Y5N1 6/20 0.39
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HTT P42858 1/20 0.35
LTA4H P09960 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 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
SCHEMBL7354019 0.91 SLC6A4 (0.42) SLC6A4HRH3SIGMAR1ALDH1A1KDM4E
SCHEMBL7353951 0.89 HTR1A (0.33) SLC6A4HRH3ALDH1A1TSHRSLC6A3
SCHEMBL7348954 0.88 SLC6A4 (0.32) SLC6A4HRH3SIGMAR1SLC6A3SLC6A2
SCHEMBL7346137 0.86 SLC6A4 (0.39) SLC6A4HRH3SIGMAR1SLC6A3SLC6A2
SCHEMBL7353677 0.84 SLC6A4 (0.38) SLC6A4HRH3SIGMAR1ALDH1A1SLC6A3
SCHEMBL7353033 0.82 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2
SCHEMBL7346562 0.82 SLC6A4 (0.49) SLC6A4HRH3SLC6A2
SCHEMBL7356365 0.81 POLB (0.34) SLC6A4ALDH1A1SLC6A3SLC6A2HTT
SCHEMBL7347814 0.81 SLC6A4 (0.35) SLC6A4HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7357619 0.80 SLC6A4 (0.35) SLC6A4HRH3ALDH1A1KDM4ESMN1; SMN2

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