SCHEMBL7348281

SCHEMBL7348281

CC1(C)CCN(CCC(O)c2ccc(I)cc2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.34
DRD2 P14416 3/20 0.34
DRD3 P35462 2/20 0.34
LMNA P02545 1/20 0.34
HTR1A P08908 3/20 0.34
HTR2A P28223 2/20 0.33
OPRL1 P41146 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE2A O00408 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
SCHEMBL7354949 0.86 HTR1A (0.34) SIGMAR1DRD2DRD3LMNAHTR1A
SCHEMBL7352557 0.85 HTR1A (0.36) SIGMAR1HTR1AHTR2ASLC6A4SLC6A3
SCHEMBL7350207 0.85 SIGMAR1 (0.34) SIGMAR1DRD2DRD3LMNAHTR1A
SCHEMBL7349099 0.84 HTR1A (0.39) SIGMAR1DRD2DRD3LMNAHTR1A
SCHEMBL7346136 0.79 HTR1A (0.39) SIGMAR1DRD2DRD3LMNAHTR1A
SCHEMBL7348954 0.78 SLC6A4 (0.32) SIGMAR1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7350899 0.78 HTR1A (0.36) DRD2DRD3HTR1AHTR2APDE2A
SCHEMBL7354111 0.73 HTR1A (0.56) SIGMAR1DRD2DRD3LMNAHTR1A
SCHEMBL7353468 0.73 ALDH1A1 (0.34) PDE2A
SCHEMBL7348115 0.72 DRD2 (0.47) SIGMAR1DRD2DRD3HTR1A

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