SCHEMBL8554293

SCHEMBL8554293

c1ccc(OCc2nc3c(CCCC4CCCNC4)cccc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 16/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACP1 P24666 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PRMT5 O14744 1/20 0.39

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
SCHEMBL8554917 0.90 NPY1R (0.44) NPY1RRAB9A
SCHEMBL8553133 0.87 NPY1R (0.42) NPY1RACP1
SCHEMBL8555787 0.87 NPY1R (0.40) NPY1RACP1
Trifluoroacetic Acid SCHEMBL8552860 0.86 NPY1R (0.48) NPY1R
SCHEMBL8551439 0.83 NPY1R (0.42) NPY1RNPC1RAB9AACP1
SCHEMBL8554556 0.79 NPY1R (0.51) NPY1R
SCHEMBL8551506 0.79 NPY1R (0.43) NPY1RACP1
SCHEMBL8554871 0.78 NPY1R (0.50) NPY1RNPC1RAB9ASMN1; SMN2
SCHEMBL8551284 0.78 NPY1R (0.50) NPY1RNPC1RAB9ASMN1; SMN2
SCHEMBL8553363 0.78 NPY1R (0.48) NPY1RACP1

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
EP-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed