SCHEMBL2685

SCHEMBL2685

CCOC(=O)C(C(C)C)C(C)(N)c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.44
ESR2 Q92731 1/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38
TSHR P16473 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
NLRP3 Q96P20 1/20 0.36
MME P08473 1/20 0.36
CTSA P10619 1/20 0.36
MYC P01106 1/20 0.35

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
SCHEMBL1892549 0.73 MME (0.50) PTPN5ESR2MAPTTDP1GRIA2
SCHEMBL2686 0.72 ESR2 (0.40) PTPN5ESR2MAPTTDP1GRIA2
SCHEMBL2687 0.71 MYC (0.45) ESR2MAPTTDP1GRIA2GRIA4
SCHEMBL9259252 0.70 MME (0.47) PTPN5ESR2MAPTTDP1GRIA2
SCHEMBL7610406 0.70 MME (0.47) PTPN5ESR2MAPTTDP1GRIA2
SCHEMBL9253966 0.70 MME (0.47) PTPN5ESR2MAPTTDP1GRIA2
SCHEMBL2603 0.70 MYC (0.46) ESR2MAPTTDP1GRIA2GRIA4
SCHEMBL1372338 0.70 GRIA2 (0.41) PTPN5ESR2MAPTTDP1GRIA2
SCHEMBL11832905 0.68 PTPN5 (0.56) PTPN5ESR2GRIA2GRIA4PTPN1
SCHEMBL11842577 0.68 PTPN5 (0.56) PTPN5ESR2GRIA2GRIA4PTPN1

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
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed