SCHEMBL8553571

SCHEMBL8553571

Clc1ccc(OCc2nc3c(OCc4ccccc4)c(CCCC4CCNCC4)ccc3[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 8/20 0.45
PRMT5 O14744 9/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8552560 0.85 NPY1R (0.45) NPY1RPRMT5RAB9ANPC1POLB
SCHEMBL8554215 0.84 NPY1R (0.49) NPY1RRAB9ANPC1POLBSMN1; SMN2
SCHEMBL8556312 0.83 PRMT5 (0.51) NPY1RPRMT5
Trifluoroacetic Acid SCHEMBL8552526 0.83 NPY1R (0.41) NPY1RRAB9ANPC1POLBSMN1; SMN2
SCHEMBL8555173 0.83 NPY1R (0.49) NPY1R
Trifluoroacetic Acid SCHEMBL8555259 0.82 RHEB (0.38) NPY1RRAB9ANPC1POLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL8552705 0.82 NPY1R (0.38) NPY1RRAB9ANPC1POLBSMN1; SMN2
SCHEMBL8553502 0.81 NPY1R (0.48) NPY1RRAB9ANPC1POLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL8552932 0.81 NPY1R (0.39) NPY1R
SCHEMBL8550284 0.81 NPY1R (0.47) NPY1RRAB9ANPC1POLBSMN1; SMN2

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