SCHEMBL9723824

SCHEMBL9723824

C=CCCCCCCCCOC1CCCNCC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.38
LPAR3 Q9UBY5 2/20 0.33
LPAR2 Q9HBW0 1/20 0.33
PRKCA P17252 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
SCHEMBL31267671 0.83 NPC1 (0.39) SLC2A1LPAR3LPAR2PRKCA
SCHEMBL31267589 0.81 NPC1 (0.42) SLC2A1LPAR3LPAR2PRKCA
SCHEMBL3943006 0.77 NPC1 (0.36) SLC2A1LPAR3LPAR2
SCHEMBL4036898 0.77 NPC1 (0.41) SLC2A1LPAR3LPAR2PRKCA
SCHEMBL8006752 0.77 CHRM1 (0.39)
SCHEMBL2896961 0.77 CHRM1 (0.39)
SCHEMBL31618664 0.76 CHRM2 (0.34)
SCHEMBL3946956 0.76 NPC1 (0.44) SLC2A1PRKCA
SCHEMBL3933992 0.76 NPC1 (0.44) SLC2A1PRKCA
SCHEMBL9723748 0.76 LPAR2 (0.33) SLC2A1LPAR3LPAR2PRKCA

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-0368933-B1 COMPOSITIONS COMPRISING 1-OXO- OR THIOHYDROCARBYL SUBSTITUTED AZACYCLOALKANES Whitby Research Incorporated (US) 1992-10-14 EP disclosed
EP-0368933-A1 COMPOSITIONS COMPRISING 1-OXO- OR THIOHYDROCARBYL SUBSTITUTED AZACYCLOALKANES Whitby Research Incorporated (US) 1990-05-23 EP disclosed