SCHEMBL8009529

SCHEMBL8009529

CCCC[C@H](N)C(O)C(=O)NCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 8/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
METAP2 P50579 1/20 0.41
ANPEP P15144 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
SLC15A1 P46059 1/20 0.39
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
DPP8 Q6V1X1 5/20 0.36
DPP4 P27487 5/20 0.36
DPP9 Q86TI2 5/20 0.36
RRM1 P23921 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
REN P00797 1/20 0.34

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
SCHEMBL1486269 0.81 DPP7 (0.59) DPP7CA1CA2METAP2ANPEP
SCHEMBL5675717 0.81 CA2 (0.44) DPP7CA1CA2METAP2ANPEP
Hydrochloric Acid SCHEMBL31036347 0.80 DPP7 (0.62) DPP7CA1CA2SLC15A1SLC1A3
SCHEMBL8012863 0.79 METAP2 (0.51) METAP2ANPEPDNPEP
SCHEMBL5675727 0.79 ANPEP (0.53) DPP7CA1CA2METAP2ANPEP
SCHEMBL8009225 0.77 ANPEP (0.63) METAP2ANPEPDNPEP
SCHEMBL12141317 0.76 MAPT (0.47) DPP7CA1CA2METAP2ANPEP
SCHEMBL8280566 0.76 MAPT (0.47) DPP7CA1CA2METAP2ANPEP
SCHEMBL14974373 0.75 ANPEP (0.41) DPP7METAP2ANPEPDNPEP
Hydrochloric Acid SCHEMBL7397557 0.74 DPP7 (0.46) DPP7CA1CA2METAP2ANPEP

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
US-6117870-A USEFUL AS THERAPEUTIC DRUG OR PREVENTIVE DRUG OF ARTHRITIS AND RHEUMATISM DUE TO INCREASE OF BONE RESORPTION IN ADDITION TO BONE DISEASES SUCH AS OSTEOPOROSIS, HYPERCALCEMIA, AND PAGET'S DISEASE FUJIREBIO KABUSHIKI KAISHA (JP) 2000-09-12 US disclosed