SCHEMBL19684402

SCHEMBL19684402

CCOC(=O)CC(=O)N(c1cccc(C(F)(F)F)c1)N(CC)C(=O)c1ccnn1-c1ccc(N)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
MAPT P10636 4/20 0.35
APP P05067 1/20 0.34
ADORA1 P30542 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CCR1 P32246 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL19656242 0.90 ELANE (0.43) CYP3A4
SCHEMBL19640140 0.81 ELANE (0.43) CYP3A4
SCHEMBL19651233 0.81 ELANE (0.42) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL19640103 0.75 ELANE (0.40) MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL19639758 0.70 ALOX15 (0.44) ALOX15MAPTHTTCYP1A2CYP3A4
SCHEMBL19639771 0.69 ELANE (0.40) CYP3A4
SCHEMBL19688313 0.69 ALOX15 (0.43) ALOX15MAPTHTTCYP1A2CYP2C19
SCHEMBL19640139 0.68 ELANE (0.46) MAPTCYP3A4
SCHEMBL19639779 0.67 ELANE (0.45) CYP3A4
SCHEMBL19640097 0.67 ELANE (0.46) CYP3A4

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
WO-2017207432-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-07 WO disclosed