SCHEMBL9856989

SCHEMBL9856989

CCCOc1ccccc1CC(CC(NC)OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.46
SLC6A4 P31645 5/20 0.46
KCNH2 Q12809 3/20 0.46
SLC6A3 Q01959 2/20 0.46
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
UBE2N P61088 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
CYP2D6 P10635 4/20 0.36
CYP3A4 P08684 3/20 0.36
CACNA1F O60840 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
CACNA1C Q13936 2/20 0.36

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
Benzoic Acid SCHEMBL9856985 0.77 SLC6A2 (0.43) SLC6A2SLC6A4KCNH2SLC6A3ALDH1A1
SCHEMBL5815188 0.70 LMNA (0.48) ALDH1A1LMNAMAPTPOLBADRB2
SCHEMBL9856935 0.68 SLC6A2 (0.49) SLC6A2SLC6A4KCNH2SLC6A3LMNA
SCHEMBL9856790 0.68 HPGD (0.39) SLC6A2SLC6A4ALDH1A1MAPTNPSR1
SCHEMBL28165249 0.67 LMNA (0.49) SLC6A2SLC6A4KCNH2SLC6A3LMNA
SCHEMBL28165251 0.67 LMNA (0.49) SLC6A2SLC6A4KCNH2SLC6A3LMNA
SCHEMBL11217648 0.65 LTB4R (0.47) PPARGKMT2A
SCHEMBL28575431 0.65 ALDH1A1 (0.50) SLC6A2SLC6A4KCNH2SLC6A3ALDH1A1
SCHEMBL7406457 0.65 SLC6A2 (0.45) SLC6A2SLC6A4KCNH2SLC6A3ALDH1A1
SCHEMBL8084869 0.64 L3MBTL1 (0.57) MAPTNPSR1PPARGMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed