SCHEMBL2975

SCHEMBL2975

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(CC1CCCCC1)C(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.63
LTB4R2 Q9NPC1 9/20 0.44
ABCB11 O95342 1/20 0.44
GP6 Q9HCN6 1/20 0.44
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL2974 1.00 AGTR1 (0.63) AGTR1LTB4R2ABCB11GP6HDAC3
SCHEMBL1512 0.92 AGTR1 (0.75) AGTR1LTB4R2ABCB11GP6HDAC3
SCHEMBL1511 0.92 AGTR1 (0.75) AGTR1LTB4R2ABCB11GP6HDAC3
SCHEMBL2377 0.89 AGTR1 (0.57) AGTR1LTB4R2ABCB11GP6
SCHEMBL2378 0.89 AGTR1 (0.57) AGTR1LTB4R2ABCB11GP6
SCHEMBL3439 0.88 AGTR1 (0.57) AGTR1LTB4R2ABCB11GP6
SCHEMBL3438 0.88 AGTR1 (0.57) AGTR1LTB4R2ABCB11GP6
SCHEMBL2381 0.88 AGTR1 (0.60) AGTR1LTB4R2ABCB11GP6
SCHEMBL2382 0.88 AGTR1 (0.60) AGTR1LTB4R2ABCB11GP6
SCHEMBL683473 0.84 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 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