SCHEMBL17965046

SCHEMBL17965046

CS(=O)(=O)c1ccc(-c2nc3cc(N4CCN(C(=O)O)CC4)ccc3o2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.43
▸ SLC6A9 P48067 5/20 0.43
▸ S1PR3 Q99500 4/20 0.43
▸ DPP4 P27487 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.39

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
SCHEMBL14707139 0.93 SLC6A9 (0.41) S1PR1SLC6A9S1PR3DPP4DPP7
SCHEMBL14695466 0.88 GPR119 (0.53) DPP4DPP7GPR119
SCHEMBL19413494 0.86 GPR119 (0.44) S1PR1S1PR3MAPTHTTGPR119
SCHEMBL14695105 0.84 DRD2 (0.54) S1PR1S1PR3HDAC6LMNASMN1; SMN2
SCHEMBL17965205 0.83 GPR119 (0.46) S1PR1SLC6A9S1PR3DPP4DPP7
SCHEMBL17965092 0.79 HDAC6 (0.41) S1PR1SLC6A9S1PR3DPP4DPP7
SCHEMBL17965087 0.78 GPR119 (0.46) S1PR1SLC6A9S1PR3DPP4DPP7
SCHEMBL14695802 0.77 GPR119 (0.54) GPR119
SCHEMBL14707125 0.76 GPR119 (0.46) S1PR1SLC6A9S1PR3DPP4DPP7
SCHEMBL14695589 0.75 PTGS2 (0.45) HDAC6MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718279-B1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2016-08-10 — — EP claimed
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