SCHEMBL8890749

SCHEMBL8890749

CC(C)(C)C(=O)OCCCOc1ccc(Nc2nc(NC3CCCCC3)c3ccccc3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 9/20 0.62
NPY5R Q15761 6/20 0.48
MAPT P10636 2/20 0.45
RECQL P46063 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PIN1 Q13526 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
MEN1 O00255 1/20 0.42
GBA1 P04062 1/20 0.42
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41

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
Hydrochloric Acid SCHEMBL8900421 0.99 MERTK (0.61) MERTKNPY5RMAPTRECQLKMT2A
SCHEMBL8889429 0.85 MERTK (0.69) MERTKNPY5RMAPTRECQLKMT2A
Hydrochloric Acid SCHEMBL8911047 0.84 MERTK (0.68) MERTKNPY5RMAPTRECQLKMT2A
SCHEMBL8889650 0.83 MERTK (0.76) MERTKNPY5RMAPTRECQLKMT2A
SCHEMBL30896198 0.83 MERTK (0.76) MERTKNPY5RMAPTRECQLKMT2A
SCHEMBL8891059 0.82 MERTK (0.66) MERTKNPY5RMAPTRECQLKMT2A
Hydrochloric Acid SCHEMBL8891541 0.82 MERTK (0.74) MERTKNPY5RMAPTRECQLKMT2A
Hydrochloric Acid SCHEMBL8909111 0.81 MERTK (0.64) MERTKNPY5RMAPTRECQLKMT2A
SCHEMBL8890443 0.78 MERTK (0.64) MERTKNPY5RCTNNB1TCF7L2
Hydrochloric Acid SCHEMBL8918566 0.77 MERTK (0.63) MERTKNPY5RCTNNB1TCF7L2

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-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO claimed