SCHEMBL4715003

SCHEMBL4715003

c1ccc(CNCCC23CC4CC(C2)CC(c2ccccc2)(C4)C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN2C Q14957 2/20 0.48
GRIN3A Q8TCU5 2/20 0.48
EPHX2 P34913 2/20 0.47
LMNA P02545 3/20 0.43
P2RX7 Q99572 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
RAD52 P43351 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41

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
SCHEMBL4717867 0.92 OPRM1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4716912 0.92 SPHK2 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4715282 0.83 EPHX2 (0.64) EPHX2P2RX7ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL1677932 0.82 EPHX2 (0.62) EPHX2P2RX7ALDH1A1KMT2AMEN1
SCHEMBL4719213 0.81 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1937745 0.77 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19149542 0.77 LMNA (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4717890 0.77 MEN1 (0.50) LMNAP2RX7ALDH1A1KMT2AMEN1
SCHEMBL4713929 0.76 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4718094 0.76 LMNA (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3952850-A1 USE OF SK2 INHIBITORS IN COMBINATION WITH IMMUNE CHECKPOINT BLOCKADE THERAPY FOR THE TREATMENT OF CANCER Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2022-02-16 EP disclosed
WO-2020208060-A1 USE OF SK2 INHIBITORS IN COMBINATION WITH IMMUNE CHECKPOINT BLOCKADE THERAPY FOR THE TREATMENT OF CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-10-15 WO disclosed
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