SCHEMBL24709148

SCHEMBL24709148

CC1CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CCN1CC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.43
SIGMAR1 Q99720 1/20 0.43
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1144711 0.90 SLC6A9 (0.51) SLC6A9SIGMAR1HSD17B10
SCHEMBL16800540 0.90 SLC6A9 (0.51) SLC6A9SIGMAR1HSD17B10
SCHEMBL9182778 0.90 SLC6A9 (0.51) SLC6A9SIGMAR1HSD17B10
SCHEMBL2290670 0.88 SLC6A9 (0.53) SLC6A9SIGMAR1HSD17B10
SCHEMBL16660369 0.88 SLC6A9 (0.53) SLC6A9SIGMAR1HSD17B10
SCHEMBL8036121 0.86 SLC6A9 (0.44) SLC6A9SIGMAR1HSD17B10
SCHEMBL27404926 0.85 SLC6A9 (0.44) SLC6A9SIGMAR1HSD17B10
SCHEMBL16660370 0.84 SLC6A9 (0.47) SLC6A9SIGMAR1HSD17B10
SCHEMBL16660371 0.84 SLC6A9 (0.47) SLC6A9SIGMAR1HSD17B10
SCHEMBL11214474 0.83 SIGMAR1 (0.44) SLC6A9SIGMAR1HSD17B10

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-2022261221-A1 NON-PEPTIDE TARGETED THERAPEUTICS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2022-12-15 WO disclosed