SCHEMBL18079443

SCHEMBL18079443

CB(O)CCCCC(N)(CCCCN1CCc2ccccc2C1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 6/20 0.77
ARG2 P78540 5/20 0.77
DRD3 P35462 6/20 0.49
DRD2 P14416 5/20 0.49
HTR7 P34969 5/20 0.49
HTR1A P08908 4/20 0.49
HTR2A P28223 3/20 0.49
HTR2B P41595 3/20 0.49
HRH1 P35367 2/20 0.49
SLC6A4 P31645 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NCOR2 Q9Y618 1/20 0.47

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
SCHEMBL18079434 0.98 ARG1 (0.77) ARG1ARG2DRD3DRD2HTR7
SCHEMBL10006186 0.91 ARG1 (0.92) ARG1ARG2DRD3DRD2HTR7
SCHEMBL29657628 0.91 ARG1 (0.92) ARG1ARG2DRD3DRD2HTR7
SCHEMBL10006144 0.89 ARG1 (0.92) ARG1ARG2DRD3DRD2HTR7
SCHEMBL29657477 0.89 ARG1 (0.92) ARG1ARG2DRD3DRD2HTR7
SCHEMBL895005 0.87 ARG1 (1.00) ARG1ARG2DRD3DRD2HTR7
SCHEMBL30169876 0.87 ARG1 (1.00) ARG1ARG2DRD3DRD2HTR7
Hydrochloric Acid SCHEMBL894310 0.86 ARG1 (0.98) ARG1ARG2DRD3DRD2HTR7
SCHEMBL14896846 0.82 ARG1 (0.69) ARG1ARG2DRD3DRD2HTR7
SCHEMBL14879593 0.82 ARG1 (0.90) 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
US-9447122-B2 Arginase inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2016-09-20 US disclosed