SCHEMBL4597523

SCHEMBL4597523

O=C1NC[C@@](CC2CCOCC2)(c2ccccc2)N1C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.32
GBA1 P04062 1/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ROCK2 O75116 1/20 0.31
RIPK3 Q9Y572 1/20 0.31
PDE9A O76083 1/20 0.30
PDE1C Q14123 1/20 0.30
CHRM3 P20309 1/20 0.30
MAPT P10636 1/20 0.30
NSD3 Q9BZ95 1/20 0.30
EBP Q15125 1/20 0.30
ANO1 Q5XXA6 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
SCHEMBL4597510 0.78 KDM4E (0.32) KDM4EALDH1A1CHRM3MAPTNSD3
SCHEMBL4596041 0.78 KDM4E (0.32) KDM4EALDH1A1CHRM3MAPTNSD3
SCHEMBL4429230 0.77 MMP2 (0.35) KDM4EPOLBNSD3
SCHEMBL4596592 0.76 MMP13 (0.36) GBA1ALDH1A1CHRM3NSD3
SCHEMBL5179386 0.73 GRIN1 (0.38) KDM4EALDH1A1CHRM3MAPTNSD3
Hydrochloric Acid SCHEMBL8413869 0.70 OPRM1 (0.35) KDM4EALDH1A1MAPT
SCHEMBL4610698 0.69 NSD3 (0.36) KDM4EALDH1A1CHRM3NSD3
SCHEMBL4626507 0.69 NSD3 (0.36) KDM4EALDH1A1CHRM3NSD3
SCHEMBL4597256 0.68 DRD2 (0.34) ALDH1A1PDE1C
SCHEMBL4596625 0.68 HTR2C (0.35) NPSR1KDM4EPOLBALDH1A1CHRM3

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed