SCHEMBL2321991

SCHEMBL2321991

CCOC(=O)[C@H]1CC(=O)CCN1CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL17009205 0.88 LTA4H (0.47) SMN1; SMN2ALDH1A1KMT2AL3MBTL1POLB
SCHEMBL2199015 0.88 MEN1 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL3315488 0.87 MEN1 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL29273277 0.83 GRM2 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2APKM
SCHEMBL5373647 0.81 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5370839 0.81 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11143053 0.81 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL27628327 0.81 ALDH1A1 (0.48) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4663812 0.78 MEN1 (0.49) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL8275351 0.78 MEN1 (0.49) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO disclosed