SCHEMBL13340384

SCHEMBL13340384

CCOCOCCn1ccnc1CN(CCCCC(N)C(=O)O)Cc1nccn1CCOCO

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ARG1 P05089 1/20 0.41
▸ CXCR4 P61073 1/20 0.33
▸ SLC1A5 Q15758 6/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL13233374 0.92 ARG1 (0.41) ARG1CXCR4SLC1A5DPP8DPP9
SCHEMBL2495924 0.92 ARG1 (0.46) ARG1CXCR4SLC1A5DPP8DPP9
SCHEMBL13233389 0.92 ARG1 (0.46) ARG1CXCR4SLC1A5DPP8DPP9
SCHEMBL13263990 0.83 ARG1 (0.51) ARG1CXCR4SLC1A5DPP8DPP9
SCHEMBL13233376 0.81 ARG1 (0.52) ARG1CXCR4SLC1A5DPP8DPP9
SCHEMBL2834366 0.78 ARG1 (0.45) ARG1CXCR4SLC1A5DPP8DPP9
SCHEMBL2838808 0.76 ARG1 (0.50) ARG1CXCR4SLC1A5DPP8DPP9
SCHEMBL15501038 0.76 ARG1 (0.50) ARG1CXCR4SLC1A5DPP8DPP9
SCHEMBL13233388 0.76 ARG1 (0.50) ARG1CXCR4SLC1A5DPP8DPP9
SCHEMBL2303111 0.76 ARG1 (0.49) ARG1CXCR4SLC1A5DPP8DPP9

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-2010065899-A2 TECHNETIUM-AND RHENIUM-BIS(HETEROARYL)COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-06-10 — — WO disclosed
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