SCHEMBL16712166

SCHEMBL16712166

COCCOCCOCCNc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.48
ABCB11 O95342 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2B P18089 1/20 0.43
OPRD1 P41143 1/20 0.43
SCN5A Q14524 1/20 0.43
KCNH3 Q9ULD8 2/20 0.39
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FDPS P14324 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2B Q13224 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK14 Q16539 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
SCHEMBL26421920 0.89 F2 (0.53) F2KCNH3KDM4EALDH1A1FDPS
SCHEMBL14982724 0.81 KCNH3 (0.51) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL13450943 0.81 F2 (0.50) F2ABCB11CYP3A4ADRA2BOPRD1
SCHEMBL30800855 0.81 ABCB11 (0.49) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL9015900 0.81 KCNH3 (0.51) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL18394327 0.79 ABCB11 (0.47) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL15922729 0.79 F2 (0.44) F2ABCB11CYP3A4ADRA2BOPRD1
SCHEMBL11559744 0.75 MAPK14 (0.37) F2CYP3A4KDM4ERECQLALDH1A1
SCHEMBL18419361 0.75 ABCB11 (0.44) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL18419346 0.75 ABCB11 (0.44) ABCB11CYP3A4ADRA2BOPRD1SCN5A

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-2873711-A1 Platinum complexes Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2015-05-20 EP disclosed