SCHEMBL30169944

SCHEMBL30169944

NC(CCCCB(O)O)(C(=O)O)C1CCN(Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 17/20 0.79
ARG2 P78540 17/20 0.79
SIGMAR1 Q99720 1/20 0.48
MCHR1 Q99705 1/20 0.48

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
SCHEMBL894745 1.00 ARG1 (0.79) ARG1ARG2SIGMAR1MCHR1
Hydrochloric Acid SCHEMBL894841 0.99 ARG1 (0.78) ARG1ARG2SIGMAR1MCHR1
SCHEMBL895255 0.89 ARG1 (1.00) ARG1ARG2
SCHEMBL12292595 0.89 ARG1 (1.00) ARG1ARG2
SCHEMBL895258 0.89 ARG1 (1.00) ARG1ARG2
Hydrochloric Acid SCHEMBL895558 0.88 ARG1 (0.98) ARG1ARG2
SCHEMBL894278 0.85 ARG1 (0.78) ARG1ARG2SIGMAR1
SCHEMBL19575883 0.85 ARG1 (1.00) ARG1ARG2SIGMAR1
SCHEMBL895916 0.85 ARG1 (1.00) ARG1ARG2SIGMAR1
SCHEMBL30772139 0.85 ARG1 (1.00) ARG1ARG2SIGMAR1

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