SCHEMBL1031369

SCHEMBL1031369

CCCNCCOc1cc(C)c(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.48
CCR9 P51686 5/20 0.42
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC40A1 Q9NP59 2/20 0.38
RORC P51449 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 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 SCHEMBL4245551 0.99 FFAR4 (0.47) FFAR4CCR9LMNAALDH1A1PKM
SCHEMBL1029088 0.86 PKM (0.41) FFAR4LMNAALDH1A1PKMTP53
Hydrochloric Acid SCHEMBL4250907 0.85 PKM (0.40) FFAR4LMNAALDH1A1PKMTP53
SCHEMBL1031574 0.83 CCR9 (0.44) FFAR4CCR9PKMGPR119TP53
SCHEMBL1031181 0.83 PIK3C3 (0.41) LMNAALDH1A1PKMGPR119TP53
Hydrochloric Acid SCHEMBL4246509 0.83 CCR9 (0.44) FFAR4CCR9PKMGPR119TP53
SCHEMBL1031521 0.83 PKM (0.35) FFAR4LMNAALDH1A1PKMTP53
Hydrochloric Acid SCHEMBL4243272 0.82 PIK3C3 (0.40) LMNAALDH1A1PKMGPR119TP53
Hydrochloric Acid SCHEMBL4252359 0.82 PKM (0.35) FFAR4LMNAALDH1A1PKMTP53
SCHEMBL1032212 0.82 PKM (0.35) FFAR4LMNAALDH1A1PKMTP53

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