SCHEMBL7388199

SCHEMBL7388199

CCOC(=O)[C@H]1NC(=O)CCC[C@@H]1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRPC5 Q9UL62 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8155039 1.00 MEN1 (0.46) MEN1KMT2APKMNPSR1ALDH1A1
SCHEMBL8155057 1.00 MEN1 (0.46) MEN1KMT2APKMNPSR1ALDH1A1
SCHEMBL7388207 1.00 MEN1 (0.46) MEN1KMT2APKMNPSR1ALDH1A1
SCHEMBL7388203 1.00 MEN1 (0.46) MEN1KMT2APKMNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL8123884 0.81 SLC6A2 (0.46) MEN1KMT2APKMNPSR1ALDH1A1
SCHEMBL7380081 0.79 MEN1 (0.46) MEN1KMT2APKMNPSR1ALDH1A1
SCHEMBL31080907 0.79 MEN1 (0.47) MEN1KMT2APKMNPSR1ALDH1A1
SCHEMBL31080922 0.79 MEN1 (0.47) MEN1KMT2APKMNPSR1ALDH1A1
SCHEMBL12987490 0.78 MEN1 (0.45) MEN1KMT2APKMNPSR1ALDH1A1
SCHEMBL24325946 0.78 ALDH1A1 (0.36) MEN1KMT2ANPSR1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040099-A1 AZEPINE OR LARGER MEDIUM RING DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Amgen Inc., (US) 2000-10-04 EP disclosed
US-6107291-A ANTIINFLAMMATORY AGENT AMGEN INC. (US) 2000-08-22 US disclosed
WO-1999032451-A1 AZEPINE OR LARGER MEDIUM RING DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AMGEN INC. (US) 1999-07-01 WO disclosed