SCHEMBL8551888

SCHEMBL8551888

Clc1ccc(OCc2nc3c(CCCN4CCCCC4)c(Cl)c(Cl)cc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.48
HRH3 Q9Y5N1 12/20 0.46
ACHE P22303 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8556818 0.83 RAB9A (0.47) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL8555586 0.83 RAB9A (0.47) NPC1POLBRAB9ASMN1; SMN2TDP1
SCHEMBL8554085 0.77 NPY1R (0.49) NPY1RNPC1POLBRAB9ASMN1; SMN2
SCHEMBL8555457 0.74 DGAT2 (0.37) POLB
SCHEMBL7690344 0.72 NPY1R (0.47) NPY1RHRH3
Trifluoroacetic Acid SCHEMBL8552498 0.71 NPY1R (0.44) NPY1R
SCHEMBL8556967 0.70 RAB9A (0.49) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL8551977 0.70 RAB9A (0.49) KMT2ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL8555784 0.69 RAB9A (0.46) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL8556128 0.69 RAB9A (0.46) MEN1KMT2ANPC1POLBRAB9A

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