SCHEMBL29657628

SCHEMBL29657628

NC(CCCCB(O)O)(CCCCN1CCc2ccccc2C1)C(=O)O

nearest known ligand 0.92

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 13/20 0.92
ARG2 P78540 12/20 0.92
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
HTR1A P08908 2/20 0.51
HTR2A P28223 2/20 0.51
HTR7 P34969 2/20 0.51
HRH1 P35367 2/20 0.51
HTR2B P41595 2/20 0.51
SLC6A4 P31645 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
NCOR2 Q9Y618 1/20 0.49

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
SCHEMBL10006186 1.00 ARG1 (0.92) ARG1ARG2DRD2DRD3HTR1A
SCHEMBL10006144 0.98 ARG1 (0.92) ARG1ARG2DRD2DRD3HTR1A
SCHEMBL29657477 0.98 ARG1 (0.92) ARG1ARG2DRD2DRD3HTR1A
SCHEMBL30169876 0.96 ARG1 (1.00) ARG1ARG2DRD2DRD3HTR1A
SCHEMBL895005 0.96 ARG1 (1.00) ARG1ARG2DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL894310 0.94 ARG1 (0.98) ARG1ARG2DRD2DRD3HTR1A
SCHEMBL18079443 0.91 ARG1 (0.77) ARG1ARG2DRD2DRD3HTR1A
SCHEMBL14879593 0.91 ARG1 (0.90) ARG1ARG2
SCHEMBL30169898 0.91 ARG1 (0.90) ARG1ARG2
SCHEMBL18079434 0.89 ARG1 (0.77) ARG1ARG2DRD2DRD3HTR1A

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 2 patents. 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
CN-110123820-B Arginase inhibitors and methods of use thereof 阿斯利康公司 2022-05-31 CN disclosed