SCHEMBL8891978

SCHEMBL8891978

CCOCCCOc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.65
KMT2A Q03164 3/20 0.57
NPC1 O15118 2/20 0.57
PKM P14618 1/20 0.57
RAB9A P51151 1/20 0.57
MERTK Q12866 5/20 0.55
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PIN1 Q13526 1/20 0.52
SLC2A1 P11166 1/20 0.52
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
OPRM1 P35372 1/20 0.51

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
SCHEMBL8891572 0.88 NPY5R (0.60) NPY5RMERTKPIN1SLC2A1
SCHEMBL8891704 0.83 NPY5R (0.67) NPY5RKMT2ANPC1PKMRAB9A
SCHEMBL8891002 0.82 NPY5R (0.54) NPY5RKMT2AMERTKMAPTNPSR1
SCHEMBL8900235 0.81 NPY5R (0.61) NPY5RKMT2AMERTKMAPTNPSR1
Hydrochloric Acid SCHEMBL8890646 0.81 NPY5R (0.53) NPY5RKMT2ANPC1PKMRAB9A
SCHEMBL8891324 0.81 NPY5R (0.61) NPY5RKMT2ANPC1MERTKMAPT
SCHEMBL8898903 0.81 NPY5R (0.77) NPY5RKMT2ANPC1RAB9AMERTK
Hydrochloric Acid SCHEMBL8891027 0.80 NPY5R (0.60) NPY5RKMT2ANPC1PKMRAB9A
SCHEMBL8900305 0.80 EGFR (0.69) NPY5RKMT2ANPC1PKMRAB9A
SCHEMBL25760732 0.80 MERTK (0.74) NPY5RKMT2ANPC1PKMRAB9A

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