SCHEMBL4597467

SCHEMBL4597467

O=C1NCC(c2ccccc2)(C2CC3CC[C@H](C2)O3)N1C1CCNCC1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
NSD3 Q9BZ95 1/20 0.31
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCZ Q05513 1/20 0.30
PRKCD Q05655 1/20 0.30
CAMK2B Q13554 1/20 0.30
CAMK2G Q13555 1/20 0.30
CAMK2D Q13557 1/20 0.30
CAMK2A Q9UQM7 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
SCHEMBL4597579 0.87 DRD2 (0.33)
SCHEMBL4597510 0.83 KDM4E (0.32) KDM4ENSD3
SCHEMBL4596041 0.83 KDM4E (0.32) KDM4ENSD3
SCHEMBL4595948 0.83 BACE1 (0.36) KDM4ENSD3
SCHEMBL4415834 0.83 BACE1 (0.36) KDM4ENSD3
SCHEMBL5179386 0.74 GRIN1 (0.38) KDM4ENSD3
SCHEMBL4610698 0.74 NSD3 (0.36) KDM4ENSD3PRKCGPRKCBPRKCA
SCHEMBL4626507 0.74 NSD3 (0.36) KDM4ENSD3PRKCGPRKCBPRKCA
SCHEMBL4596366 0.71 CHRM2 (0.37)
SCHEMBL4596721 0.71 CHRM2 (0.37)

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