SCHEMBL20156729

SCHEMBL20156729

CCCCCC(CCC1CCCN1)(NC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.40
ARG2 P78540 1/20 0.40
PRCP P42785 3/20 0.39
CCR2 P41597 4/20 0.33
S1PR2 O95136 2/20 0.33
S1PR4 O95977 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CXCR4 P61073 1/20 0.33
TLR2 O60603 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32
GNAI1 P63096 2/20 0.32

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
SCHEMBL10265623 0.89 ARG1 (0.39) ARG1ARG2
SCHEMBL16309657 0.89 ARG1 (0.39) ARG1ARG2
SCHEMBL895474 0.86 ARG1 (0.57) ARG1ARG2
SCHEMBL895475 0.86 ARG1 (0.57) ARG1ARG2
Hydrochloric Acid SCHEMBL894179 0.85 ARG1 (0.56) ARG1ARG2
Hydrochloric Acid SCHEMBL894177 0.85 ARG1 (0.56) ARG1ARG2
SCHEMBL28817969 0.75 ARG1 (0.44) ARG1ARG2TLR2
SCHEMBL28825397 0.75 ARG1 (0.44) ARG1ARG2TLR2
Hydrochloric Acid SCHEMBL28256875 0.74 PRCP (0.35) ARG1ARG2PRCPS1PR2S1PR4
Hydrochloric Acid SCHEMBL28256845 0.74 PRCP (0.35) ARG1ARG2PRCPS1PR2S1PR4

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-2018089490-A1 ARGINASE INHIBITOR COMBINATION THERAPIES CALITHERA BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed