SCHEMBL8227443

SCHEMBL8227443

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

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.71
▸ DPP8 Q6V1X1 9/20 0.71
▸ DPP9 Q86TI2 4/20 0.65
▸ ACE P12821 1/20 0.65
▸ HTR2A P28223 1/20 0.65
▸ FAP Q12884 1/20 0.65
▸ DPP7 Q9UHL4 1/20 0.65

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
SCHEMBL8223790 0.89 DPP4 (0.74) DPP4DPP8DPP9ACEHTR2A
SCHEMBL8223711 0.87 DPP4 (0.73) DPP4DPP8DPP9ACEHTR2A
SCHEMBL8224713 0.87 DPP4 (0.74) DPP4DPP8DPP9ACEHTR2A
SCHEMBL8205523 0.84 DPP4 (0.66) DPP4DPP8DPP9ACEHTR2A
SCHEMBL15042309 0.83 DPP4 (0.85) DPP4DPP8DPP9ACEHTR2A
SCHEMBL8225334 0.83 DPP4 (0.50) DPP4DPP8DPP9ACEHTR2A
SCHEMBL8226443 0.83 DPP4 (0.64) DPP4DPP8DPP9ACEHTR2A
SCHEMBL1934835 0.79 DPP4 (0.81) DPP4DPP8DPP9ACEHTR2A
Sitagliptin SCHEMBL1289311 0.79 DPP4 (1.00) DPP4DPP8DPP9ACEHTR2A
Sitagliptin SCHEMBL174489 0.79 DPP4 (1.00) 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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