SCHEMBL7107773

SCHEMBL7107773

CC(=O)N1c2c(ccn3c(C)c(C)nc23)C(O)[C@H](O)[C@H]1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
KIF11 P52732 1/20 0.32
HCRTR1 O43613 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GUCY1B2 O75343 1/20 0.30
GUCY1A2 P33402 1/20 0.30
GUCY1A1 Q02108 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
SCHEMBL6529295 1.00 ELANE (0.35) ELANEATP4AATP4BKIF11HCRTR1
SCHEMBL5037175 1.00 ELANE (0.35) ELANEATP4AATP4BKIF11HCRTR1
SCHEMBL5746631 0.84 ELANE (0.34) ELANEATP4AATP4BCYP3A4CYP2C9
SCHEMBL4972816 0.83 ELANE (0.32) ELANE
SCHEMBL4972810 0.83 ELANE (0.32) ELANE
SCHEMBL5745520 0.83 ELANE (0.36) ELANEHCRTR1TP53MAPTALOX15
SCHEMBL5041462 0.83 ELANE (0.38) ELANEATP4AATP4BKIF11CYP3A4
SCHEMBL5044812 0.80 KIF11 (0.38) ATP4AATP4BKIF11CYP3A4CYP2C9
SCHEMBL6672735 0.77 ELANE (0.37) ELANEATP4AATP4BCYP3A4CYP2C9
SCHEMBL5744048 0.77 ELANE (0.37) ELANEATP4AATP4BCYP3A4CYP2C9

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-1476445-A1 TRICYCLIC N-ACYL COMPOUNDS ALTANA Pharma AG (DE) 2004-11-17 EP disclosed
WO-2003068774-A1 TRICYCLIC N-ACYL COMPOUNDS ALTANA PHARMA AG (DE) 2003-08-21 WO disclosed