SCHEMBL30725558

SCHEMBL30725558

CCCCCCCCNC(=O)c1cc[n+]([O-])c(CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 2/20 0.40
S1PR1 P21453 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 2/20 0.40
DRD3 P35462 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
MLYCD O95822 1/20 0.38

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
SCHEMBL22390142 1.00 NAAA (0.44) NAAAL3MBTL1DRD2S1PR1HTR1A
SCHEMBL22390149 1.00 NAAA (0.44) NAAAL3MBTL1DRD2S1PR1HTR1A
SCHEMBL30725523 1.00 NAAA (0.44) NAAAL3MBTL1DRD2S1PR1HTR1A
SCHEMBL30725524 0.96 SMN1; SMN2 (0.44) NAAASMN1; SMN2ALDH1A1DRD3LMNA
SCHEMBL22390138 0.96 SMN1; SMN2 (0.44) NAAASMN1; SMN2ALDH1A1DRD3LMNA
SCHEMBL22402322 0.89 NAAA (0.45) NAAAL3MBTL1DRD2S1PR1HTR1A
SCHEMBL22402304 0.89 NAAA (0.45) NAAAL3MBTL1DRD2S1PR1HTR1A
SCHEMBL22402305 0.85 SMN1; SMN2 (0.45) NAAAL3MBTL1S1PR1SMN1; SMN2ALDH1A1
SCHEMBL22390151 0.82 LMNA (0.42) S1PR1ALDH1A1DRD3LMNAMAPT
SCHEMBL22390148 0.82 LMNA (0.42) S1PR1ALDH1A1DRD3LMNAMAPT

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-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 CN claimed
CN-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 CN disclosed