SCHEMBL6466746

SCHEMBL6466746

C[C@H](N)C(=O)N[C@H]([C]=O)CO

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.45
DPP4 P27487 2/20 0.44
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CTRB1 P17538 5/20 0.35
SLC15A1 P46059 1/20 0.34
NOD1 Q9Y239 1/20 0.31

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
SCHEMBL11347411 0.85 DPP4 (0.47) PAX8DPP4DPP8DPP7
SCHEMBL11347414 0.85 DPP4 (0.47) PAX8DPP4DPP8DPP7
SCHEMBL1627439 0.82 DPP4 (0.42) PAX8DPP4DPP8DPP7CTRB1
SCHEMBL1796260 0.82 DPP4 (0.42) PAX8DPP4DPP8DPP7CTRB1
SCHEMBL8509053 0.82 DPP4 (0.42) PAX8DPP4DPP8DPP7CTRB1
SCHEMBL28057635 0.82 SLC7A5 (0.42)
SCHEMBL1627442 0.81 DPP4 (0.41) PAX8DPP4DPP8DPP7CTRB1
SCHEMBL9797925 0.81 DPP7 (0.47) PAX8DPP4DPP8DPP7CTRB1
SCHEMBL9797920 0.81 DPP7 (0.47) PAX8DPP4DPP8DPP7CTRB1
SCHEMBL9177741 0.78 GABRP (0.47) DPP4DPP8DPP7NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916800-B2 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent PFIZER INC (US) 2005-07-12 US disclosed
US-6858598-B1 Method of using a matrix metalloproteinase inhibitor and one or more antineoplastic agents as a combination therapy in the treatment of neoplasia G. D. SEARLE & CO. (US) 2005-02-22 US disclosed
US-6833373-B1 N-(3-hydroxy-5-((1,4,5,6-tetrahydro-5-hydroxy-2-pyrimidinyl) -amino)-benzoyl)glycyl-3-(3-bromo-5-chloro-2-hydroxyphenyl)-b-alanine and tamoxifen; breast cancer G.D. SEARLE & CO. 2004-12-21 US disclosed