SCHEMBL18079447

SCHEMBL18079447

CB(O)CCCCC(N)(CCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ARG1 P05089 11/20 0.44
▸ ARG2 P78540 10/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ HTR1A P08908 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ CACNA1G O43497 1/20 0.41

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
SCHEMBL10006313 0.92 ARG1 (0.54) ARG1ARG2DRD2DRD4DRD3
SCHEMBL29657443 0.92 ARG1 (0.54) ARG1ARG2DRD2DRD4DRD3
SCHEMBL10006101 0.90 ARG1 (0.54) ARG1ARG2DRD2DRD4DRD3
SCHEMBL29657574 0.90 ARG1 (0.54) ARG1ARG2DRD2DRD4DRD3
SCHEMBL11932443 0.83 ARG1 (0.51) ARG1ARG2DRD2HTR1AHTR2A
SCHEMBL10006286 0.81 MAPT (0.46) ARG1ARG2DRD2DRD4DRD3
SCHEMBL17494183 0.76 ARG1 (0.57) ARG1ARG2
SCHEMBL18079438 0.75 ARG1 (0.56) ARG1ARG2
SCHEMBL10006138 0.74 ARG1 (0.52) ARG1ARG2
SCHEMBL10006564 0.74 ARG1 (0.68) ARG1ARG2CACNA1G

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
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