SCHEMBL28858041

SCHEMBL28858041

NCC(=O)COC(=O)CN

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GABRR1 P24046 1/20 0.36
HTR2C P28335 1/20 0.35
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
CYP1A2 P05177 1/20 0.30

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
SCHEMBL27577532 0.84 KDM4E (0.32) KDM4ELMNAGLRA1SLC6A9OR51E2
SCHEMBL20470300 0.79 GABRR1 (0.56) KDM4ELMNAGABRR1HTR2CGLRA1
SCHEMBL497945 0.78
SCHEMBL2483127 0.78
SCHEMBL6116108 0.76
SCHEMBL28847834 0.76
SCHEMBL31383718 0.76 GLRA1 (0.45) LMNAGABRR1GLRA1SLC6A9OR51E2
SCHEMBL22783601 0.76 GLRA1 (0.32) GLRA1SLC6A9OR51E2
SCHEMBL10458274 0.76
Ammonia Solution, Strong SCHEMBL28136415 0.76 GLRA1 (0.45) LMNAGABRR1GLRA1SLC6A9OR51E2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107903337-A A kind of chitosan derivatives with mucosa-adherent and Pept-1 targetings and preparation method thereof 中国药科大学 2018-04-13 CN claimed
CN-107903337-A A kind of chitosan derivatives with mucosa-adherent and Pept-1 targetings and preparation method thereof 中国药科大学 2018-04-13 CN disclosed