SCHEMBL4719213

SCHEMBL4719213

c1ccc(NCCC23CC4CC(C2)CC(c2ccccc2)(C4)C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
LMNA P02545 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ICMT O60725 2/20 0.44
RAD52 P43351 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.42
P2RX7 Q99572 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL22530506 0.92 LMNA (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4715435 0.91 LMNA (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23323137 0.82 P2RX7 (0.53) ALDH1A1MEN1KMT2AICMTEPHX2
SCHEMBL4715003 0.81 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1937745 0.80 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19149542 0.80 LMNA (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4717867 0.76 OPRM1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4716912 0.76 SPHK2 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19149692 0.76 LMNA (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19148495 0.76 LMNA (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-1904439-A2 SPHINGOSINE KINASE INHIBITORS Apogee Biothechnology Corporation (US) 2008-04-02 EP disclosed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO disclosed