SCHEMBL8890752

SCHEMBL8890752

OCCCc1ccc(Nc2nc(NC3CCCCC3)c3ccccc3n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 8/20 0.69
NPY5R Q15761 2/20 0.58
CXCR4 P61073 1/20 0.49
PDE5A O76074 1/20 0.49
ACP1 P24666 1/20 0.49
OGG1 O15527 1/20 0.49
APP P05067 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
TAAR1 Q96RJ0 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTNNB1 P35222 1/20 0.48
TCF7L2 Q9NQB0 1/20 0.48
CCR4 P51679 1/20 0.47
PGK1 P00558 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL8890313 0.94 MERTK (0.72) MERTKNPY5RCXCR4PDE5AACP1
SCHEMBL8890736 0.86 CAMK2D (0.51) MERTKNPY5R
SCHEMBL8889429 0.86 MERTK (0.69) MERTKNPY5RPDE5AACP1OGG1
Hydrochloric Acid SCHEMBL8911047 0.85 MERTK (0.68) MERTKNPY5RPDE5AACP1OGG1
SCHEMBL27224044 0.84 MERTK (0.81) MERTKNPY5RPDE5AACP1OGG1
SCHEMBL8889634 0.83 MERTK (0.98) MERTKNPY5RPDE5AACP1OGG1
SCHEMBL8890638 0.83 NPY5R (0.67) MERTKNPY5RTAAR1POLBHTT
SCHEMBL8890443 0.82 MERTK (0.64) MERTKNPY5RPDE5AACP1OGG1
Hydrochloric Acid SCHEMBL8890334 0.82 MERTK (0.95) MERTKNPY5RPDE5AACP1OGG1
Hydrochloric Acid SCHEMBL8918566 0.82 MERTK (0.63) MERTKNPY5RPDE5AACP1OGG1

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