SCHEMBL20156730

SCHEMBL20156730

CCCCCC(N)(CCN1CCC(Cc2ccc(Cl)cc2)CC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 1/20 0.46
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 2/20 0.46
ARG1 P05089 5/20 0.46
ARG2 P78540 5/20 0.46
GAA P10253 1/20 0.42

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
SCHEMBL894636 0.88 ARG1 (0.63) ARG1ARG2
Hydrochloric Acid SCHEMBL895725 0.87 ARG1 (0.62) ARG1ARG2
Hydrochloric Acid SCHEMBL28256810 0.81 KCNH2 (0.47) KCNH2ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL20156728 0.81 ARG1 (0.56) ARG1ARG2
SCHEMBL10265570 0.80 PRMT3 (0.51) SLC6A2SLC6A3ARG1ARG2
SCHEMBL12292360 0.80 ARG1 (0.63) ARG1ARG2
SCHEMBL20156732 0.79 CCR3 (0.48) ARG1ARG2
SCHEMBL894944 0.78 ARG1 (0.67) ARG1ARG2
SCHEMBL895202 0.78 ARG1 (0.63) ARG1ARG2
SCHEMBL19055962 0.77 ARG1 (0.61) 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-2018089490-A1 ARGINASE INHIBITOR COMBINATION THERAPIES CALITHERA BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed