SCHEMBL2759

SCHEMBL2759

CCCCC(=O)N(CCCOc1ccccc1)Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.52
LTB4R2 Q9NPC1 13/20 0.49
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AGTR2 P50052 1/20 0.47
ABCB11 O95342 1/20 0.44
GP6 Q9HCN6 1/20 0.44
MLNR O43193 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
SCHEMBL2327 0.97 AGTR1 (0.51) AGTR1LTB4R2NPC1LMNAALOX15
SCHEMBL7279632 0.92 AGTR1 (0.52) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL2453 0.90 AGTR1 (0.51) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL3115 0.89 AGTR1 (0.53) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL2789 0.89 AGTR1 (0.55) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL2673 0.88 AGTR1 (0.58) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL3042 0.88 AGTR1 (0.54) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL2118 0.88 AGTR1 (0.55) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL2510 0.87 AGTR1 (0.53) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL7271515 0.87 AGTR1 (0.53) AGTR1LTB4R2AGTR2ABCB11GP6

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