SCHEMBL30169855

SCHEMBL30169855

NC(CCCCB(O)O)(C(=O)O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 15/20 0.62
ARG2 P78540 15/20 0.62
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ABL1 P00519 1/20 0.53
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.45
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44

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
SCHEMBL894946 1.00 ARG1 (0.62) ARG1ARG2LMNAKDM4EABL1
Hydrochloric Acid SCHEMBL895133 0.99 ARG1 (0.61) ARG1ARG2LMNAKDM4EABL1
SCHEMBL20683409 0.89 LMNA (0.56) ARG1ARG2LMNAKDM4EABL1
SCHEMBL30170023 0.86 ARG1 (0.66) ARG1ARG2KDM4EMAPT
SCHEMBL895072 0.86 ARG1 (0.66) ARG1ARG2KDM4EMAPT
SCHEMBL894693 0.86 ARG1 (0.59) ARG1ARG2DPP4DPP7
SCHEMBL30170065 0.86 ARG1 (0.59) ARG1ARG2DPP4DPP7
Hydrochloric Acid SCHEMBL895238 0.85 ARG1 (0.64) ARG1ARG2KDM4EMAPT
SCHEMBL30169883 0.82 ARG1 (0.55) ARG1ARG2LMNAKDM4EMEN1
SCHEMBL894070 0.82 ARG1 (0.55) ARG1ARG2LMNAKDM4EMEN1

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-2023283332-A1 USES OF ARGINASE INHIBITORS FOR MANAGING KIDNEY DISEASE AND CARDIOVASCULAR CONDITIONS EMORY UNIVERSITY (US) 2023-01-12 WO disclosed