SCHEMBL2686

SCHEMBL2686

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38
PTPN5 P54829 1/20 0.36
NLRP3 Q96P20 1/20 0.36
MME P08473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
PTPN1 P18031 1/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL1628 0.81 ESR2 (0.43) ESR2GRIA2GRIA4ALDH1A1GAA
SCHEMBL7270546 0.79 ESR2 (0.46) ESR2GRIA2GRIA4ALDH1A1OXTR
SCHEMBL2104 0.79 NLRP3 (0.43) ESR2MAPTGRIA2GRIA4ALDH1A1
SCHEMBL7279558 0.79 ESR2 (0.46) ESR2GRIA2GRIA4ALDH1A1FFAR1
SCHEMBL1711 0.78 LTB4R2 (0.49) OXTRAVPR1AFFAR1AKR1B1
SCHEMBL2687 0.77 MYC (0.45) ESR2MAPTTDP1GRIA2GRIA4
SCHEMBL2604 0.77 NLRP3 (0.41) ESR2MAPTTDP1GRIA2GRIA4
SCHEMBL1892549 0.73 MME (0.50) ESR2MAPTTDP1GRIA2GRIA4
SCHEMBL2685 0.72 PTPN5 (0.44) ESR2MAPTTDP1GRIA2GRIA4
SCHEMBL9259252 0.70 MME (0.47) ESR2MAPTTDP1GRIA2GRIA4

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
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed