SCHEMBL30772139

SCHEMBL30772139

N[C@@](CCCCB(O)O)(C(=O)O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 18/20 1.00
ARG2 P78540 18/20 1.00
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL19575883 1.00 ARG1 (1.00) ARG1ARG2SIGMAR1MEN1KMT2A
SCHEMBL895916 1.00 ARG1 (1.00) ARG1ARG2SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL894225 0.99 ARG1 (0.98) ARG1ARG2SIGMAR1MEN1KMT2A
SCHEMBL895581 0.96 ARG1 (0.93) ARG1ARG2SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL894579 0.95 ARG1 (0.91) ARG1ARG2SIGMAR1MEN1KMT2A
SCHEMBL10265953 0.91 ARG1 (0.84) ARG1ARG2
SCHEMBL895402 0.91 ARG1 (0.84) ARG1ARG2
SCHEMBL894640 0.91 ARG1 (0.83) ARG1ARG2
Hydrochloric Acid SCHEMBL895503 0.90 ARG1 (0.81) ARG1ARG2
SCHEMBL894945 0.90 ARG1 (1.00) 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-2024006841-A2 COMPOSITIONS FOR WEIGHT LOSS AND CANCER TREATMENT KNOWLEDGE PHARMACEUTICALS INC. (US) 2024-01-04 WO disclosed