SCHEMBL30169841

SCHEMBL30169841

NC(CCCCB(O)O)(C(=O)O)[C@H]1C[C@@H](NCc2cccc3cccnc23)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 18/20 0.46
ARG2 P78540 18/20 0.46
HDAC6 Q9UBN7 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL894260 1.00 ARG1 (0.46) ARG1ARG2HDAC6ADORA3ADORA2A
SCHEMBL894261 1.00 ARG1 (0.46) ARG1ARG2HDAC6ADORA3ADORA2A
Hydrochloric Acid SCHEMBL895194 0.99 ARG1 (0.46) ARG1ARG2HDAC6ADORA3ADORA2A
Hydrochloric Acid SCHEMBL895195 0.99 ARG1 (0.46) ARG1ARG2HDAC6ADORA3ADORA2A
Hydrochloric Acid SCHEMBL2566685 0.99 ARG1 (0.46) ARG1ARG2HDAC6ADORA3ADORA2A
SCHEMBL20683513 0.90 HDAC6 (0.40) HDAC6ADORA3ADORA2AADORA2BADORA1
SCHEMBL895085 0.85 ARG1 (0.52) ARG1ARG2
SCHEMBL30169939 0.85 ARG1 (0.52) ARG1ARG2
SCHEMBL895087 0.85 ARG1 (0.52) ARG1ARG2
Hydrochloric Acid SCHEMBL2577972 0.84 ARG1 (0.51) ARG1ARG2

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-2023283332-A1 USES OF ARGINASE INHIBITORS FOR MANAGING KIDNEY DISEASE AND CARDIOVASCULAR CONDITIONS EMORY UNIVERSITY (US) 2023-01-12 WO disclosed