SCHEMBL14196129

SCHEMBL14196129

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(NC(=O)CN3CCC(c4ccccc4F)CC3)cc2)cc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.51
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL14224372 0.93 DRD4 (0.54) DRD4LMNASMN1; SMN2ALDH1A1
SCHEMBL404928 0.89 DRD2 (0.48) DRD4
SCHEMBL405409 0.86 TSHR (0.54) LMNASMN1; SMN2ALDH1A1
SCHEMBL403957 0.85 ALDH1A1 (0.43) LMNASMN1; SMN2ALDH1A1
SCHEMBL404637 0.85 NPC1 (0.51) SMN1; SMN2ALDH1A1
SCHEMBL404913 0.84 L3MBTL1 (0.55) LMNASMN1; SMN2ALDH1A1
SCHEMBL403977 0.84 NPC1 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL439727 0.84 NPC1 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL399640 0.83 LMNA (0.44) LMNASMN1; SMN2ALDH1A1
SCHEMBL438343 0.83 ALDH1A1 (0.50) ALDH1A1

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