SCHEMBL1031476

SCHEMBL1031476

CCCNCCOc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
CCR9 P51686 3/20 0.40
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.38
KMT2A Q03164 2/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
GAA P10253 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
HPGD P15428 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
HDAC3 O15379 2/20 0.37

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
Hydrochloric Acid SCHEMBL4240168 0.99 FFAR4 (0.40) FFAR4CCR9LMNASMN1; SMN2TSHR
SCHEMBL1032412 0.90 LMNA (0.41) LMNASMN1; SMN2TSHRHTTALDH1A1
Hydrochloric Acid SCHEMBL4250607 0.89 LMNA (0.40) LMNASMN1; SMN2TSHRHTTALDH1A1
SCHEMBL1031574 0.89 CCR9 (0.44) FFAR4CCR9TP53SLC40A1GPR119
SCHEMBL1032791 0.88 TSHR (0.44) LMNASMN1; SMN2TSHRHTTALDH1A1
Hydrochloric Acid SCHEMBL4246509 0.88 CCR9 (0.44) FFAR4CCR9TP53SLC40A1GPR119
SCHEMBL541872 0.87 LMNA (0.41) FFAR4CCR9LMNASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL4245486 0.87 TSHR (0.44) LMNASMN1; SMN2TSHRHTTALDH1A1
SCHEMBL1032629 0.87 LMNA (0.39) FFAR4LMNASMN1; SMN2TSHRHTT
Hydrochloric Acid SCHEMBL4240174 0.86 LMNA (0.39) FFAR4LMNASMN1; SMN2TSHRHTT

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
EP-2013179-B1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-01-19 EP disclosed