SCHEMBL4426327

SCHEMBL4426327

O=C1NC[C@](c2ccccc2)(C2CCNCC2C2CCNCC2)N1C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.32
CHRM3 P20309 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
SSTR4 P31391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 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
SCHEMBL4595948 0.80 BACE1 (0.36) CHRM3GRIN1GRIN2AGRIN2B
SCHEMBL4415834 0.80 BACE1 (0.36) CHRM3GRIN1GRIN2AGRIN2B
SCHEMBL4597510 0.71 KDM4E (0.32) CHRM3ALDH1A1
SCHEMBL4596041 0.71 KDM4E (0.32) CHRM3ALDH1A1
SCHEMBL4597467 0.70 KDM4E (0.31)
SCHEMBL4626507 0.69 NSD3 (0.36) SIGMAR1CHRM3ALDH1A1
SCHEMBL4610698 0.69 NSD3 (0.36) SIGMAR1CHRM3ALDH1A1
SCHEMBL5179386 0.69 GRIN1 (0.38) SIGMAR1CHRM3ALDH1A1GRIN1GRIN2A
SCHEMBL4596721 0.67 CHRM2 (0.37) SIGMAR1CHRM3CNR2
SCHEMBL4596366 0.67 CHRM2 (0.37) SIGMAR1CHRM3CNR2

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-2088860-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2009-08-19 EP disclosed
WO-2008070758-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2008-06-12 WO disclosed