SCHEMBL5334794

SCHEMBL5334794

CCn1nnnc1[C@@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
ALDH1A1 P00352 2/20 0.35
CHRM2 P08172 3/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5332404 0.88 L3MBTL1 (0.44) L3MBTL1TAAR1ALDH1A1CHRNA7KMT2A
SCHEMBL5333657 0.82 L3MBTL1 (0.40) L3MBTL1TAAR1ALDH1A1MEN1LMNA
SCHEMBL3844985 0.79 LMNA (0.46) TAAR1ALDH1A1MEN1LMNAKMT2A
SCHEMBL3844987 0.79 LMNA (0.46) TAAR1ALDH1A1MEN1LMNAKMT2A
SCHEMBL5314842 0.78 L3MBTL1 (0.50) L3MBTL1TAAR1CHRM2CHRM4CHRM5
SCHEMBL25241870 0.76 LMNA (0.43) ALDH1A1CYP2C19LMNAKMT2A
SCHEMBL2997110 0.74 TAAR1 (0.45) L3MBTL1TAAR1ALDH1A1CHRM2CHRM4
SCHEMBL2997114 0.74 TAAR1 (0.45) L3MBTL1TAAR1ALDH1A1CHRM2CHRM4
SCHEMBL23638635 0.73 ALDH1A1 (0.42) ALDH1A1CYP2C19MEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL20292137 0.72 MEN1 (0.43) ALDH1A1CYP2C19MEN1LMNAKMT2A

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