SCHEMBL8892545

SCHEMBL8892545

NCCCCCCCCNc1nc(N)c2ccccc2n1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.70
NPY1R P25929 1/20 0.70
APP P05067 10/20 0.65
AGTR1 P30556 1/20 0.61
AGTR2 P50052 1/20 0.61
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
ACHE P22303 3/20 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
SCHEMBL8893524 1.00 NPY5R (0.70) NPY5RNPY1RAPPAGTR1AGTR2
SCHEMBL6039582 1.00 NPY5R (0.70) NPY5RNPY1RAPPAGTR1AGTR2
Hydrochloric Acid SCHEMBL8892586 0.99 NPY5R (0.68) NPY5RNPY1RAPPAGTR1AGTR2
SCHEMBL8891182 0.87 APP (0.63) NPY5RNPY1RAPPAGTR1AGTR2
SCHEMBL8891855 0.86 APP (0.59) NPY5RNPY1RAPPAGTR1AGTR2
SCHEMBL8891169 0.85 NPY5R (0.61) NPY5RNPY1RAPPAGTR1AGTR2
SCHEMBL8890573 0.84 APP (0.56) NPY5RNPY1RAPPAGTR1AGTR2
SCHEMBL6039576 0.83 NPY5R (0.60) NPY5RNPY1RAPPAGTR1AGTR2
SCHEMBL8891176 0.83 NPY5R (0.60) NPY5RNPY1RAPPAGTR1AGTR2
SCHEMBL8892539 0.83 NPY5R (0.60) NPY5RNPY1RAPPAGTR1AGTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997020821-A1 HETEROARYL DERIVATIVES NOVARTIS AG (CH) 1997-06-12 WO claimed
WO-1997020821-A1 HETEROARYL DERIVATIVES NOVARTIS AG (CH) 1997-06-12 WO disclosed