SCHEMBL7101424

SCHEMBL7101424

ICC1CCCN1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.40
SPHK1 Q9NYA1 3/20 0.40
HTR2A P28223 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC18A2 Q05940 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL28710409 0.80 NPC1 (0.38) SPHK2SPHK1SLC18A2
SCHEMBL27892163 0.79 ABHD6 (0.47)
SCHEMBL1769465 0.74 SMN1; SMN2 (0.48) SPHK1
SCHEMBL1287227 0.74 SMN1; SMN2 (0.48) SPHK1
SCHEMBL6379511 0.74 SMN1; SMN2 (0.48) SPHK1
SCHEMBL28710267 0.73 HRH3 (0.46) HTR2AHRH3
Hydrochloric Acid SCHEMBL27721454 0.73 HRH3 (0.38) SPHK2SPHK1HRH3
SCHEMBL1697453 0.72 SPHK1 (0.46) SPHK2SPHK1HRH3
SCHEMBL7390923 0.72 SPHK1 (0.54) SPHK2SPHK1
SCHEMBL28787818 0.71 SIGMAR1 (0.40)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140952-B1 ORGANO-PHOSPHORUS COMPOUNDS AND THEIR UTILIZATION BIOAGENCY AG (DE) 2003-09-03 EP disclosed
EP-1140952-A1 ORGANO-PHOSPHORUS COMPOUNDS AND THEIR UTILIZATION Jomaa Pharmaka GmbH (DE) 2001-10-10 EP disclosed
WO-2000037477-A1 ORGANO-PHOSPHORUS COMPOUNDS AND THEIR UTILIZATION JOMAA PHARMAKA GMBH (DE) 2000-06-29 WO disclosed