SCHEMBL3404

SCHEMBL3404

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(C(=O)NCCc1ccc(O)cc1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.55
LTB4R2 Q9NPC1 8/20 0.55
ABCB11 O95342 1/20 0.55
GP6 Q9HCN6 1/20 0.55
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL3403 1.00 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6HDAC3
SCHEMBL3569 0.95 AGTR1 (0.59) AGTR1LTB4R2ABCB11GP6HDAC3
SCHEMBL3570 0.95 AGTR1 (0.59) AGTR1LTB4R2ABCB11GP6HDAC3
SCHEMBL2803 0.87 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL2804 0.87 AGTR1 (0.61) AGTR1LTB4R2ABCB11GP6
SCHEMBL12600308 0.85 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL21408288 0.85 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL157179 0.85 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL2329 0.85 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL1560689 0.85 AGTR1 (0.72) 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 claimed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP claimed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed