SCHEMBL29286314

SCHEMBL29286314

CC(C)(C)OC(=O)N(CCCCN)C[C@H]1CCCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 1/20 0.35
▸ ITGB3 P05106 8/20 0.34
▸ ITGA2B P08514 8/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ DPP4 P27487 2/20 0.31
▸ DPP8 Q6V1X1 2/20 0.31
▸ DPP9 Q86TI2 2/20 0.31
▸ DPP7 Q9UHL4 2/20 0.31
▸ FAP Q12884 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL18992448 0.91 HSD17B10 (0.37) CA14HSD17B10SMN1; SMN2
SCHEMBL20168082 0.91 HSD17B10 (0.37) CA14HSD17B10SMN1; SMN2
SCHEMBL18992446 0.91 HSD17B10 (0.37) CA14HSD17B10SMN1; SMN2
SCHEMBL18992262 0.84 CA14 (0.36) CA14HSD17B10SMN1; SMN2
SCHEMBL18992260 0.84 CA14 (0.36) CA14HSD17B10SMN1; SMN2
SCHEMBL29286303 0.81 CA14 (0.33) CA14ITGB3ITGA2B
SCHEMBL19000778 0.80 ALDH1A1 (0.41) CA14HSD17B10SMN1; SMN2
SCHEMBL25193443 0.78 HSD17B10 (0.38) HSD17B10SMN1; SMN2DPP4DPP8DPP9
SCHEMBL31296240 0.78 HSD17B10 (0.38) HSD17B10SMN1; SMN2DPP4DPP8DPP9
SCHEMBL16528528 0.78 HSD17B10 (0.38) HSD17B10SMN1; SMN2DPP4DPP8DPP9

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
CN-109069489-A Diamino-alkylamino linked arylsulfonamide compounds having selective activity for voltage-gated sodium channels 默沙东公司 2018-12-21 — — CN disclosed
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