SCHEMBL5332404

SCHEMBL5332404

CCCn1nnnc1[C@@H]1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 2/20 0.40
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL5334794 0.88 L3MBTL1 (0.43) L3MBTL1TAAR1ALDH1A1KMT2ACHRNA7
SCHEMBL5333657 0.85 L3MBTL1 (0.40) L3MBTL1TAAR1ALDH1A1KMT2A
SCHEMBL5314842 0.79 L3MBTL1 (0.50) L3MBTL1TAAR1CHRNA7
SCHEMBL3844985 0.73 LMNA (0.46) TAAR1ALDH1A1KMT2AGAA
SCHEMBL3844987 0.73 LMNA (0.46) TAAR1ALDH1A1KMT2AGAA
SCHEMBL2997114 0.72 TAAR1 (0.45) L3MBTL1TAAR1ALDH1A1CYP1A2CHRNA7
SCHEMBL2997110 0.72 TAAR1 (0.45) L3MBTL1TAAR1ALDH1A1CYP1A2CHRNA7
SCHEMBL25241870 0.71 LMNA (0.43) ALDH1A1CYP1A2KMT2A
SCHEMBL5315145 0.70 L3MBTL1 (0.38) L3MBTL1TAAR1CYP1A2KMT2ACHRNA7
SCHEMBL14747110 0.66 HTT (0.46) L3MBTL1TAAR1ALDH1A1KMT2ACHRNA7

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