SCHEMBL5314099

SCHEMBL5314099

Cn1nnnc1[C@@H]1CCCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
CCR1 P32246 1/20 0.35
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.32
HSD17B10 Q99714 2/20 0.31
TP53 P04637 2/20 0.31
NPC1 O15118 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPT P10636 1/20 0.31
HSD11B1 P28845 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2991986 0.77 TMEM97 (0.51)
SCHEMBL5312589 0.74 PDF (0.36) CCR1GAA
SCHEMBL586708 0.73 ALDH1A1 (0.42) NPC1ALOX15MAPTALDH1A1CYP2C19
SCHEMBL5316207 0.73 CPT1A (0.40)
SCHEMBL22705477 0.72 LMNA (0.46) RIPK1CCR1LMNAHSD17B10ALOX15
SCHEMBL16992168 0.72 EPHX2 (0.34) GAALMNAHPGDHSD17B10ALOX15
SCHEMBL3842757 0.72 CCR1 (0.65) CCR1GAAHPGDTP53HSD11B1
SCHEMBL28887472 0.69 PRMT5 (0.52) RIPK1LMNAALOX15
SCHEMBL20187290 0.69 PRMT5 (0.52) RIPK1LMNAALOX15
SCHEMBL3852873 0.68 RIPK1 (0.33) RIPK1

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