SCHEMBL8890573

SCHEMBL8890573

CC(C)(CCCN)CCCNc1nc(N)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.56
NPY5R Q15761 7/20 0.55
NPY1R P25929 1/20 0.55
AGTR1 P30556 1/20 0.52
AGTR2 P50052 1/20 0.52
NPC1 O15118 2/20 0.45
PKM P14618 2/20 0.45
NFKB1 P19838 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
LMNA P02545 1/20 0.43

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
SCHEMBL8891300 0.88 APP (0.60) APPNPY5RNPY1RAGTR1AGTR2
SCHEMBL8890566 0.85 APP (0.51) APPNPY5RNPY1RAGTR1AGTR2
SCHEMBL8892545 0.84 NPY5R (0.70) APPNPY5RNPY1RAGTR1AGTR2
SCHEMBL8893524 0.84 NPY5R (0.70) APPNPY5RNPY1RAGTR1AGTR2
SCHEMBL6039582 0.84 NPY5R (0.70) APPNPY5RNPY1RAGTR1AGTR2
Hydrochloric Acid SCHEMBL8892586 0.83 NPY5R (0.68) APPNPY5RNPY1RAGTR1AGTR2
SCHEMBL8891855 0.80 APP (0.59) APPNPY5RNPY1RAGTR1AGTR2
SCHEMBL8891182 0.78 APP (0.63) APPNPY5RNPY1RAGTR1AGTR2
SCHEMBL24038281 0.77 APP (0.70) APPNPY5RAGTR1AGTR2NPC1
SCHEMBL8890992 0.76 APP (0.48) APPNPY5RNPY1RAGTR1AGTR2

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