SCHEMBL22769258

SCHEMBL22769258

C=CCOC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 2/20 0.43
▸ DPP9 Q86TI2 2/20 0.43
▸ DPP7 Q9UHL4 2/20 0.43
▸ GSR P00390 1/20 0.40
▸ ERAP2 Q6P179 6/20 0.40
▸ LNPEP Q9UIQ6 4/20 0.40
▸ GNAI3 P08754 1/20 0.40
▸ GNAO1 P09471 1/20 0.40
▸ GNAI1 P63096 1/20 0.40
▸ ERAP1 Q9NZ08 3/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ IDE P14735 2/20 0.36
▸ FOLH1 Q04609 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ LTA4H P09960 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
SCHEMBL369324 0.82 GSR (0.50) DPP8DPP9DPP7GSRGNAI3
SCHEMBL11667283 0.82 GSR (0.50) DPP8DPP9DPP7GSRGNAI3
SCHEMBL369325 0.82 GSR (0.50) DPP8DPP9DPP7GSRGNAI3
SCHEMBL13496274 0.81 ERAP2 (0.54) DPP8DPP9DPP7GSRERAP2
Hydrochloric Acid SCHEMBL11554718 0.81 GSR (0.48) DPP8DPP9DPP7GSRGNAI3
Hydrochloric Acid SCHEMBL11554720 0.81 GSR (0.48) DPP8DPP9DPP7GSRGNAI3
SCHEMBL2742777 0.78 FOLH1 (0.49) IDEFOLH1
SCHEMBL13400091 0.78 FOLH1 (0.49) IDEFOLH1
SCHEMBL13400056 0.78 FOLH1 (0.49) IDEFOLH1
SCHEMBL2734207 0.78 ERAP2 (0.52) DPP8DPP9DPP7GSRERAP2

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-2020246602-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE 大塚製薬株式会社 2020-12-10 — — WO disclosed
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