SCHEMBL30218441

SCHEMBL30218441

O=C(O)CN1CCNCCN(CC(=O)O)CCN(Cc2cccc(C(=O)O)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
HIF1A Q16665 1/20 0.63
CHRM3 P20309 9/20 0.53
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KDM5C P41229 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
FAAH O00519 1/20 0.48
MGLL Q99685 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LTA4H P09960 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47

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
SCHEMBL21043985 1.00 CYP2D6 (0.63) CYP2D6CYP2C9HIF1ACHRM3SIGMAR1
SCHEMBL28744419 0.92 CYP2D6 (0.73) CYP2D6CYP2C9HIF1ACHRM3SIGMAR1
SCHEMBL30218451 0.92 CYP2D6 (0.73) CYP2D6CYP2C9HIF1AALDH1A1FAAH
SCHEMBL21044020 0.92 CYP2D6 (0.73) CYP2D6CYP2C9HIF1AALDH1A1FAAH
SCHEMBL15855008 0.91 SIGMAR1 (0.58) CYP2D6CYP2C9HIF1ACHRM3SIGMAR1
SCHEMBL4552407 0.91 CYP2D6 (0.71) CYP2D6CYP2C9HIF1AALDH1A1FAAH
SCHEMBL12438436 0.91 CYP2D6 (0.71) CYP2D6CYP2C9HIF1ACHRM3SIGMAR1
SCHEMBL13185789 0.85 SIGMAR1 (0.72) CYP2D6CYP2C9HIF1ASIGMAR1ALDH1A1
SCHEMBL21043978 0.84 SIGMAR1 (0.53) CYP2D6SIGMAR1ALDH1A1KDM5CKDM4C
SCHEMBL17169640 0.81 NCF1 (0.51) CHRM3SIGMAR1ALDH1A1SMN1; SMN2

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 6 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-115836137-A Separation of rare earth elements 阳光科技公司 2023-03-21 CN claimed
EP-4127255-A1 SEPARATION OF RARE EARTH ELEMENTS SHINE Technologies, LLC (US) 2023-02-08 EP 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
CN-115836137-A Separation of rare earth elements 阳光科技公司 2023-03-21 CN disclosed
EP-4127255-A1 SEPARATION OF RARE EARTH ELEMENTS SHINE Technologies, LLC (US) 2023-02-08 EP disclosed