SCHEMBL1971

SCHEMBL1971

CCCCC(=O)N(CCCc1ccc(O)cc1)Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 12/20 0.52
AGTR1 P30556 9/20 0.52
AGTR2 P50052 1/20 0.45
ABCB11 O95342 1/20 0.43
GP6 Q9HCN6 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL3508 0.97 AGTR1 (0.51) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL2789 0.92 AGTR1 (0.55) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL3042 0.91 AGTR1 (0.54) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL2118 0.91 AGTR1 (0.55) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL2510 0.90 AGTR1 (0.53) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL2976637 0.90 AGTR1 (0.53) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL7271515 0.90 AGTR1 (0.53) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL2519 0.89 AGTR1 (0.46) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL7279632 0.89 AGTR1 (0.52) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL2969141 0.89 AGTR1 (0.54) LTB4R2AGTR1AGTR2ABCB11GP6

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 5 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
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