SCHEMBL30169883

SCHEMBL30169883

NC(CCCCB(O)O)(C(=O)O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 11/20 0.55
ARG2 P78540 11/20 0.55
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL894070 1.00 ARG1 (0.55) ARG1ARG2MAPTGAACYP2C9
Hydrochloric Acid SCHEMBL895716 0.99 ARG1 (0.54) ARG1ARG2MAPTGAACYP2C9
SCHEMBL20683476 0.90 MAPT (0.52) MAPTGAACYP2C9CYP2C19SMN1; SMN2
SCHEMBL894848 0.89 ARG1 (0.62) ARG1ARG2
SCHEMBL30169977 0.89 ARG1 (0.62) ARG1ARG2
SCHEMBL30169855 0.82 ARG1 (0.62) ARG1ARG2MAPTSMN1; SMN2LMNA
SCHEMBL894946 0.82 ARG1 (0.62) ARG1ARG2MAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL895133 0.81 ARG1 (0.61) ARG1ARG2MAPTSMN1; SMN2LMNA
SCHEMBL894693 0.80 ARG1 (0.59) ARG1ARG2
SCHEMBL30170065 0.80 ARG1 (0.59) 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-2023283332-A1 USES OF ARGINASE INHIBITORS FOR MANAGING KIDNEY DISEASE AND CARDIOVASCULAR CONDITIONS EMORY UNIVERSITY (US) 2023-01-12 WO disclosed