SCHEMBL8554991

SCHEMBL8554991

C=CCc1c(CCCC2CCNCC2)ccc2[nH]c(COc3ccc(Cl)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 14/20 0.42
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A4 P31645 2/20 0.34
TERT O14746 1/20 0.34
DGAT2 Q96PD7 1/20 0.33

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
SCHEMBL7690344 0.86 NPY1R (0.47) NPY1R
SCHEMBL8554215 0.85 NPY1R (0.49) NPY1RRAB9ANPC1POLBSMN1; SMN2
SCHEMBL8552821 0.83 GPR119 (0.42) NPY1RDGAT2
SCHEMBL8553502 0.82 NPY1R (0.48) NPY1RRAB9ANPC1POLBSMN1; SMN2
SCHEMBL8550284 0.81 NPY1R (0.47) NPY1RRAB9ANPC1POLBSMN1; SMN2
SCHEMBL8553571 0.80 NPY1R (0.45) NPY1RRAB9ANPC1POLBSMN1; SMN2
SCHEMBL8556235 0.79 NPY1R (0.48) NPY1RRAB9ANPC1POLBSMN1; SMN2
SCHEMBL8556872 0.78 NPY1R (0.44) NPY1RRAB9ANPC1POLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL8552526 0.77 NPY1R (0.41) NPY1RRAB9ANPC1POLBSMN1; SMN2
SCHEMBL8555173 0.77 NPY1R (0.49) NPY1R

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