SCHEMBL4633319

SCHEMBL4633319

CCON(C1CCCC1)C(C(=O)OP(=O)(O)Cl)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 2/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4276273 1.00 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4TP53KMT2A
SCHEMBL4633331 0.88 ENPP2 (0.37) TP53KMT2ACYP3A4LMNATSHR
SCHEMBL4268901 0.88 ENPP2 (0.37) TP53KMT2ACYP3A4LMNATSHR
SCHEMBL7025599 0.70 CHRM3 (0.39) SLC6A2SLC6A3KMT2ACYP3A4CHRM2
SCHEMBL7795340 0.69 SMN1; SMN2 (0.38) TP53KMT2AADRA2AKCNH2LMNA
SCHEMBL20856173 0.69 SMN1; SMN2 (0.38) TP53KMT2AADRA2AKCNH2LMNA
SCHEMBL7023153 0.68 PTGIR (0.36) KMT2ACHRM2CHRM1SMN1; SMN2MEN1
SCHEMBL7025600 0.66 CHRM2 (0.38) SLC6A2SLC6A3KMT2ACHRM2HTR1A
SCHEMBL4268095 0.65 L3MBTL1 (0.36) KMT2AL3MBTL1SMN1; SMN2MEN1KDM4E
SCHEMBL20162538 0.65 ALDH1A1 (0.35) TP53KMT2ACHRM2CHRM1LMNA

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-1928475-B1 ANTIVIRAL PHOSPHORAMIDATES OF 4'-C-AZIDO-SUBSTITUTED PRONUCLEOTIDES RIBOSCIENCE LLC (US) 2018-05-23 EP disclosed
EP-1928475-A2 ANTIVIRAL PHOSPHORAMIDATES OF 4'-SUBSTITUTED PRONUCLEOTIDES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-11 EP disclosed
WO-2007020193-A2 ANTIVIRAL PHOSPHORAMIDATES OF 4 ' -SUBSTITUTED PRONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed