SCHEMBL30169887

SCHEMBL30169887

COc1ccccc1N1CCN(CCC(N)(CCCCB(O)O)C(=O)O)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 10/20 0.61
ARG2 P78540 9/20 0.61
DRD2 P14416 2/20 0.53
HTR1A P08908 1/20 0.53
HTR2A P28223 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CACNA1G O43497 1/20 0.52
KCNH2 Q12809 1/20 0.52
DRD3 P35462 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL894168 1.00 ARG1 (0.61) ARG1ARG2DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL894877 0.99 ARG1 (0.60) ARG1ARG2DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL894268 0.98 ARG1 (0.59) ARG1ARG2DRD2HTR1AHTR2A
SCHEMBL20683338 0.86 DRD2 (0.54) DRD2HTR1AHTR2ADRD3
SCHEMBL895007 0.83 ARG1 (0.71) ARG1ARG2
Hydrochloric Acid SCHEMBL894875 0.82 ARG1 (0.69) ARG1ARG2
Hydrochloric Acid SCHEMBL894979 0.81 ARG1 (0.68) ARG1ARG2
SCHEMBL895199 0.78 ARG1 (0.72) ARG1ARG2
SCHEMBL895065 0.77 ARG1 (0.80) ARG1ARG2
Hydrochloric Acid SCHEMBL894954 0.77 ARG1 (0.70) 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