SCHEMBL5277348

SCHEMBL5277348

COc1cc(-c2c3ccccc3[n+](C)c3ccccc23)ccc1NC(=O)[C@H](C)N

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
ACHE P22303 4/20 0.43
LPAR1 Q92633 5/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CIT O14578 1/20 0.41
HTT P42858 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
Hydrochloric Acid SCHEMBL5406243 0.99 IDO1 (0.44) IDO1ACHELPAR1MAPTKDM4E
Hydrochloric Acid SCHEMBL5414138 0.83 IDO1 (0.41) IDO1MAPTKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL5404002 0.81 HTT (0.47) ACHEMAPTALDH1A1POLBHTT
SCHEMBL5273957 0.79 ACHE (0.63) IDO1ACHECITTAAR1
Hydrochloric Acid SCHEMBL5404008 0.78 ACHE (0.62) IDO1ACHECITTAAR1
Hydrochloric Acid SCHEMBL5414835 0.77 ACHE (0.60) IDO1ACHECITTAAR1
SCHEMBL7738209 0.73 IDO1 (0.67) IDO1LPAR1KDM4EALDH1A1TAAR1
SCHEMBL6265104 0.73 ACHE (0.58) IDO1ACHEALDH1A1
SCHEMBL5277342 0.72 ACHE (0.38) ACHEALDH1A1
Hydrochloric Acid SCHEMBL5406241 0.72 ACHE (0.38) ACHEALDH1A1

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
EP-1587793-B1 ENZYME SUBSTRATES, CULTURE MEDIA CONTAINING SAME AND USE THEREOF IN ORDER TO DETECT AMINOPEPTIDASE ACTIVITY AND/OR DIFFERENTIATE GRAM-POSITIVE BACTERIA FROM GRAM-NEGATIVE BACTERIA BIOMERIEUX SA (FR) 2007-11-28 EP disclosed