SCHEMBL8501824

SCHEMBL8501824

N[C@H](Cc1ccccc1)C(=O)N1CCCCC1[C]=O

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.74
DPP7 Q9UHL4 14/20 0.74
DPP8 Q6V1X1 13/20 0.74
DPP9 Q86TI2 13/20 0.74
FAP Q12884 10/20 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
SCHEMBL5713150 0.96 DPP4 (0.80) DPP4DPP7DPP8DPP9FAP
SCHEMBL5713152 0.96 DPP4 (0.80) DPP4DPP7DPP8DPP9FAP
SCHEMBL7298604 0.96 DPP4 (0.80) DPP4DPP7DPP8DPP9FAP
SCHEMBL2195630 0.96 DPP4 (0.80) DPP4DPP7DPP8DPP9FAP
SCHEMBL27452954 0.96 DPP4 (0.80) DPP4DPP7DPP8DPP9FAP
SCHEMBL2182020 0.96 DPP4 (0.80) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL7309557 0.88 DPP4 (0.91) DPP4DPP7DPP8DPP9FAP
SCHEMBL2183274 0.87 DPP4 (0.67) DPP4DPP7DPP8DPP9FAP
SCHEMBL10792312 0.85 DPP4 (0.67) DPP4DPP7DPP8DPP9FAP
SCHEMBL6453066 0.85 DPP4 (1.00) DPP4DPP7DPP8DPP9FAP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0914608-A1 MICROPLATE THERMAL SHIFT ASSAY AND APPARATUS FOR LIGAND DEVELOPMENT AND MULTI-VARIABLE PROTEIN CHEMISTRY OPTIMIZATION 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-05-12 EP disclosed
WO-1997042500-A1 MICROPLATE THERMAL SHIFT ASSAY AND APPARATUS FOR LIGAND DEVELOPMENT AND MULTI-VARIABLE PROTEIN CHEMISTRY OPTIMIZATION 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-11-13 WO disclosed