SCHEMBL5315145

SCHEMBL5315145

CCCn1nnc([C@@H]2CCCN2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 1/20 0.34
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL5315676 0.88 L3MBTL1 (0.37) L3MBTL1TAAR1CHRNA7
SCHEMBL5314253 0.85 L3MBTL1 (0.35) L3MBTL1TAAR1
SCHEMBL14371901 0.80 ALDH1A1 (0.53) MAPTTSHR
SCHEMBL13246595 0.79 L3MBTL1 (0.43) L3MBTL1TAAR1CHRNA7
SCHEMBL5314701 0.79 L3MBTL1 (0.43) L3MBTL1TAAR1CHRNA7
SCHEMBL13246614 0.79 L3MBTL1 (0.43) L3MBTL1TAAR1CHRNA7
SCHEMBL12104729 0.75 RECQL (0.38) RECQLMEN1KMT2AMAPTALOX15
SCHEMBL12068159 0.75 ADORA2A (0.37) RECQLMEN1KMT2AMAPTALOX15
SCHEMBL1357059 0.74 RAB9A (0.47) L3MBTL1TAAR1MEN1KMT2ACYP1A2
SCHEMBL1357056 0.74 RAB9A (0.47) L3MBTL1TAAR1MEN1KMT2ACYP1A2

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-2007067904-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-14 WO disclosed