SCHEMBL20683407

SCHEMBL20683407

BCCCCC(N)(C(=O)O)C1CCN(Cc2ccc(F)c(F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 12/20 0.60
ARG2 P78540 12/20 0.60
SIGMAR1 Q99720 2/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.43
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 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
SCHEMBL20683399 0.91 ARG1 (0.67) ARG1ARG2SIGMAR1
SCHEMBL20683512 0.90 ARG1 (0.53) ARG1ARG2SIGMAR1
SCHEMBL894278 0.89 ARG1 (0.78) ARG1ARG2SIGMAR1ALDH1A1
SCHEMBL19576669 0.85 ARG1 (0.80) ARG1ARG2SIGMAR1ALDH1A1
SCHEMBL10265155 0.84 ARG1 (0.77) ARG1ARG2SIGMAR1
SCHEMBL16309661 0.84 ARG1 (0.77) ARG1ARG2SIGMAR1
SCHEMBL19055967 0.84 ARG1 (0.77) ARG1ARG2SIGMAR1
SCHEMBL18323829 0.83 ARG1 (0.80) ARG1ARG2SIGMAR1
SCHEMBL20683403 0.82 ARG1 (0.56) ARG1ARG2SIGMAR1
SCHEMBL20156713 0.82 ARG1 (0.74) ARG1ARG2SIGMAR1ALDH1A1

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
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed