SCHEMBL7047341

SCHEMBL7047341

O=P(O)(O)OC1[C@H](OP(=O)(O)O)CN(CCO)C[C@H]1OP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
INPP5A Q14642 4/20 0.43
ITPR3 Q14573 8/20 0.41
ITPR2 Q14571 4/20 0.41
ITPR1 Q14643 4/20 0.41
SMPD1 P17405 1/20 0.39
INPPL1 O15357 1/20 0.36
AKT1 P31749 1/20 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
SCHEMBL7049028 0.89 INPP5A (0.41) INPP5AITPR3ITPR2ITPR1SMPD1
SCHEMBL7046466 0.78 GUSB (0.47) SMPD1
SCHEMBL7047385 0.76 INPP5A (0.42) INPP5AITPR3ITPR2ITPR1SMPD1
SCHEMBL7047326 0.76 INPP5A (0.48) INPP5AITPR3ITPR2ITPR1SMPD1
SCHEMBL3085645 0.75 PDPK1 (0.50)
SCHEMBL7046732 0.70 PDPK1 (0.53)
SCHEMBL6295790 0.67 INPP5A (0.63) INPP5AITPR3ITPR2ITPR1SMPD1
SCHEMBL4269637 0.67 INPP5A (0.63) INPP5AITPR3ITPR2ITPR1SMPD1
SCHEMBL23356000 0.66 INPP5A (0.62) INPP5AITPR3ITPR2ITPR1SMPD1
SCHEMBL3083042 0.66 INPP5A (0.50) INPP5AITPR3ITPR2ITPR1SMPD1

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-1023301-B1 A HETEROCYCLIC CHEMICAL COMPOUND BIONERIS AB (SE) 2003-04-09 EP disclosed
US-6046334-A Heterocyclic chemical compound PERSTORP AB (SE) 2000-04-04 US disclosed