SCHEMBL8901739

SCHEMBL8901739

NC(=O)C1CCC(CNc2nc(NCCO)c3ccccc3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RAD52 P43351 2/20 0.51
VCP P55072 10/20 0.50
MAPT P10636 2/20 0.48
APP P05067 1/20 0.48
ACHE P22303 1/20 0.48
PGK1 P00558 1/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL8898260 0.92 VCP (0.50) VCPAPPACHE
SCHEMBL8899135 0.88 TRIM58 (0.53) POLBRAD52VCPALDH1A1KMT2A
SCHEMBL8898351 0.88 VCP (0.48) VCPAPPACHEKDM4EALDH1A1
SCHEMBL8890197 0.88 PDE5A (0.48) POLBRAD52VCPAPPACHE
SCHEMBL8889919 0.87 VCP (0.52) VCP
SCHEMBL8901747 0.87 TAAR1 (0.56) TAAR1HTTPOLBSMN1; SMN2RAD52
SCHEMBL8890072 0.86 POLB (0.51) POLBVCPGAA
SCHEMBL8889077 0.86 VCP (0.47) VCPAPPACHEKMT2A
SCHEMBL8898697 0.86 VCP (0.46) POLBVCPAPPACHE
SCHEMBL8891157 0.86 NPY5R (0.54) VCP

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-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed