SCHEMBL6216281

SCHEMBL6216281

C=C[C@H]1CN(CCCCCCC)CC[C@H]1CCN(C)c1ncnc2ccc(OC)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.42
CSF1R P07333 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
CYP3A4 P08684 3/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 6/20 0.36
SLC22A1 O15245 3/20 0.36
ABCB11 O95342 3/20 0.36
ABCB1 P08183 3/20 0.36
ADRA2A P08913 3/20 0.36
SLC6A4 P31645 3/20 0.36
OPRM1 P35372 3/20 0.36
SCN1A P35498 3/20 0.36
KCNH2 Q12809 3/20 0.36
SCN2A Q99250 3/20 0.36
SCN3A Q9NY46 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SLC22A2 O15244 2/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL6975723 0.88 CCR8 (0.48) CCR8CYP3A4LMNACYP2D6SLC22A1
SCHEMBL6213531 0.85 CCR8 (0.44) CCR8CYP3A4LMNACYP2D6SLC22A1
SCHEMBL6966554 0.81 CCR8 (0.50) CCR8CYP3A4LMNACYP2D6SLC22A1
SCHEMBL6973010 0.81 CCR8 (0.50) CCR8CYP3A4LMNACYP2D6SLC22A1
SCHEMBL6968481 0.80 CCR8 (0.49) CCR8CYP3A4LMNACYP2D6SLC22A1
SCHEMBL6974931 0.80 CCR8 (0.49) CCR8CYP3A4LMNACYP2D6SLC22A1
SCHEMBL6968167 0.80 CCR8 (0.49) CCR8CYP3A4LMNACYP2D6SLC22A1
SCHEMBL6973637 0.79 ADRA1A (0.52) CCR8CYP3A4CYP2D6SLC22A1ABCB11
SCHEMBL6976922 0.79 CCR8 (0.48) CCR8CYP3A4LMNACYP2D6SLC22A1
SCHEMBL6964557 0.79 ADRA1A (0.52) CCR8CYP3A4CYP2D6SLC22A1ABCB11

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-1127057-B1 NAPHTHYRIDINE COMPOUNDS AND THIER AZAISOSTERIC ANALOGUES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2005-05-04 EP claimed