SCHEMBL8889429

SCHEMBL8889429

OCCCOc1ccc(Nc2nc(NC3CCCCC3)c3ccccc3n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 9/20 0.69
NPY5R Q15761 3/20 0.56
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PDE5A O76074 1/20 0.47
ACP1 P24666 1/20 0.47
OGG1 O15527 1/20 0.47
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ADORA3 P0DMS8 3/20 0.46
ADORA2A P29274 3/20 0.46

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 SCHEMBL8911047 0.99 MERTK (0.68) MERTKNPY5RHTTSMN1; SMN2NPC1
SCHEMBL8889650 0.88 MERTK (0.76) MERTKNPY5RHTTSMN1; SMN2NPC1
SCHEMBL30896198 0.88 MERTK (0.76) MERTKNPY5RHTTSMN1; SMN2NPC1
SCHEMBL8891059 0.87 MERTK (0.66) MERTKNPY5RHTTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8891541 0.87 MERTK (0.74) MERTKNPY5RHTTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8909111 0.87 MERTK (0.64) MERTKNPY5RHTTSMN1; SMN2NPC1
SCHEMBL8890752 0.86 MERTK (0.69) MERTKNPY5RHTTSMN1; SMN2MAPT
SCHEMBL8890749 0.85 MERTK (0.62) MERTKNPY5RHTTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8900421 0.84 MERTK (0.61) MERTKNPY5RHTTSMN1; SMN2NPC1
SCHEMBL27223954 0.84 MERTK (0.60) MERTKNPY5R

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