SCHEMBL8890638

SCHEMBL8890638

OCCCc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.67
TAAR1 Q96RJ0 2/20 0.61
HTT P42858 2/20 0.61
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MERTK Q12866 2/20 0.57
MAPT P10636 2/20 0.56
PGK1 P00558 1/20 0.56
GAA P10253 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL8889728 0.92 NPY5R (0.70) NPY5RTAAR1HTTPOLBSMN1; SMN2
SCHEMBL8890526 0.91 TAAR1 (0.65) NPY5RTAAR1HTTPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL8908244 0.91 NPY5R (0.68) NPY5RTAAR1HTTPOLBSMN1; SMN2
SCHEMBL8891140 0.90 NPY5R (0.60) NPY5RTAAR1HTTPOLBSMN1; SMN2
SCHEMBL8891485 0.90 MERTK (0.73) NPY5RTAAR1HTTSMN1; SMN2MERTK
Hydrochloric Acid SCHEMBL8908695 0.89 NPY5R (0.59) NPY5RTAAR1HTTPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL8900133 0.89 MERTK (0.72) NPY5RTAAR1HTTPOLBSMN1; SMN2
SCHEMBL8892609 0.87 KDM4E (0.67) NPY5RTAAR1HTTSMN1; SMN2MERTK
SCHEMBL8890752 0.83 MERTK (0.69) NPY5RTAAR1HTTPOLBSMN1; SMN2
SCHEMBL27223492 0.82 NPY5R (0.62) NPY5RTAAR1HTTPOLBSMN1; SMN2

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