SCHEMBL8225334

SCHEMBL8225334

O=C(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 18/20 0.50
▸ DPP8 Q6V1X1 8/20 0.50
▸ DPP9 Q86TI2 4/20 0.44
▸ ACE P12821 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ FAP Q12884 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ PARP3 Q9Y6F1 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8223780 0.88 DPP4 (0.53) DPP4DPP8DPP9ACEHTR2A
SCHEMBL8227443 0.83 DPP4 (0.71) DPP4DPP8DPP9ACEHTR2A
SCHEMBL16993649 0.82 DPP4 (0.56) DPP4DPP8DPP9ACEHTR2A
SCHEMBL8223485 0.82 DPP4 (0.47) DPP4DPP8DPP9DPP7PARP1
SCHEMBL25304263 0.75 DPP4 (0.69) DPP4DPP8DPP9ACEHTR2A
SCHEMBL8223790 0.72 DPP4 (0.74) DPP4DPP8DPP9ACEHTR2A
SCHEMBL22897326 0.71 DPP4 (0.55) DPP4DPP8DPP9ACEHTR2A
SCHEMBL8205523 0.70 DPP4 (0.66) DPP4DPP8DPP9ACEHTR2A
SCHEMBL8223711 0.70 DPP4 (0.73) DPP4DPP8DPP9ACEHTR2A
SCHEMBL8217514 0.70 DPP4 (0.55) DPP4DPP8DPP9ACEHTR2A

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
WO-2008040974-A1 INDOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LIMITED (GB) 2008-04-10 — — WO disclosed
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