SCHEMBL14224372

SCHEMBL14224372

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CN3CCC(c4ccccc4F)CC3)cc2)cc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14196129 0.93 DRD4 (0.51) DRD4SMN1; SMN2LMNAALDH1A1
SCHEMBL12064278 0.88 DRD4 (0.51) DRD4ALDH1A1MEN1KMT2A
SCHEMBL10287218 0.86 ALDH1A1 (0.56) SMN1; SMN2LMNAALDH1A1HTTMEN1
SCHEMBL1109163 0.84 ALDH1A1 (0.45) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL1109453 0.84 NPC1 (0.54) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL1109291 0.84 L3MBTL1 (0.58) SMN1; SMN2LMNAALDH1A1HTTTDP1
SCHEMBL1109357 0.83 NPC1 (0.53) SMN1; SMN2ALDH1A1HTTTDP1MEN1
SCHEMBL1109198 0.83 NPC1 (0.53) SMN1; SMN2ALDH1A1HTTTDP1MEN1
SCHEMBL1109284 0.82 LMNA (0.47) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL10287204 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2A

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
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed