SCHEMBL3362

SCHEMBL3362

COC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.47
LTB4R2 Q9NPC1 2/20 0.42
ABCB11 O95342 1/20 0.42
GP6 Q9HCN6 1/20 0.42
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AGTR2 P50052 3/20 0.35
ATM Q13315 1/20 0.35
EPOR P19235 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2482 0.92 ALDH1A1 (0.47) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL3215 0.91 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL3011 0.90 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL3185 0.90 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL3319 0.89 AGTR1 (0.48) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL3473870 0.88 AGTR1 (0.50) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL3473866 0.88 AGTR1 (0.50) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL2950 0.86 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL2691 0.86 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL14193717 0.86 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6

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-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
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed