SCHEMBL19595488

SCHEMBL19595488

CCNCCN(C=O)CCOCCOCCOCCOCCOCCOCCOC

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RECQL P46063 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
SCHEMBL8745522 0.86 CA2 (0.34)
SCHEMBL8395168 0.80 CYP2C19 (0.39)
SCHEMBL9574397 0.74 ALOX15 (0.39)
SCHEMBL28102916 0.74 CA2 (0.34) CYP3A4KDM4ERECQL
SCHEMBL23568387 0.73 KDM4E (0.47) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL15114177 0.73 KDM4E (0.47) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL10350619 0.73 KDM4E (0.47) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL15025288 0.73 KDM4E (0.47) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL22856505 0.73 KDM4E (0.47) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL2090757 0.73 PIK3CD (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed