SCHEMBL4597510

SCHEMBL4597510

O=C1NC[C@](c2ccccc2)(C2CCOCC2)N1C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
OPRL1 P41146 2/20 0.32
SLC6A9 P48067 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
CHRM3 P20309 1/20 0.30
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3R2 O00459 1/20 0.30
PIK3CA P42336 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
SCHEMBL4596041 1.00 KDM4E (0.32) KDM4ENSD3OPRL1SLC6A9MEN1
SCHEMBL4595948 0.88 BACE1 (0.36) KDM4ENSD3SLC6A9CHRM3BACE1
SCHEMBL4415834 0.88 BACE1 (0.36) KDM4ENSD3SLC6A9CHRM3BACE1
SCHEMBL4598027 0.87 CHRNA1 (0.32) KDM4EOPRL1MEN1ALDH1A1MAPT
SCHEMBL4596625 0.87 HTR2C (0.35) KDM4ENSD3MEN1ALDH1A1MAPT
SCHEMBL4597256 0.87 DRD2 (0.34) MEN1ALDH1A1KMT2ABACE1
SCHEMBL4596506 0.87 DRD2 (0.34) MEN1ALDH1A1KMT2ABACE1
SCHEMBL4596707 0.84 GABRA1 (0.32)
SCHEMBL4597467 0.83 KDM4E (0.31) KDM4ENSD3
SCHEMBL4597523 0.78 NPSR1 (0.32) KDM4ENSD3ALDH1A1MAPTCHRM3

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