SCHEMBL27331978

SCHEMBL27331978

CC(C)CCC(=O)NCCN(C)CCNC(=O)[C@H](N)CCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.37
DPP7 Q9UHL4 1/20 0.36
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FOLH1 Q04609 12/20 0.34
ALB P02768 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
OTC P00480 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33

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
SCHEMBL29299668 0.96 NOD1 (0.37) NOD1DPP7TP53SMN1; SMN2FOLH1
SCHEMBL29300537 0.89 NOD1 (0.36) NOD1DPP7TP53SMN1; SMN2FOLH1
SCHEMBL27331646 0.88 ALDH1A1 (0.39) TP53SMN1; SMN2FOLH1ALBSIGMAR1
SCHEMBL29299665 0.87 DPP7 (0.43) NOD1DPP7TP53SMN1; SMN2FOLH1
SCHEMBL29299824 0.86 DPP7 (0.43) NOD1DPP7TP53SMN1; SMN2FOLH1
SCHEMBL29299811 0.85 DPP7 (0.45) NOD1DPP7TP53SMN1; SMN2FOLH1
SCHEMBL29299797 0.84 DPP7 (0.46) NOD1DPP7TP53SMN1; SMN2FOLH1
SCHEMBL29300536 0.81 DPP7 (0.50) NOD1DPP7TP53SMN1; SMN2FOLH1
SCHEMBL29299823 0.79 SMN1; SMN2 (0.37) DPP7TP53SMN1; SMN2FOLH1SIGMAR1
SCHEMBL29299829 0.78 SMN1; SMN2 (0.46) TP53SMN1; SMN2FOLH1ALBSIGMAR1

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-2024129600-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRHR) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. (US) 2024-06-20 WO disclosed