SCHEMBL2739

SCHEMBL2739

N#Cc1ccccc1-c1ccc(CNCCOCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
ESR2 Q92731 1/20 0.46
GBA1 P04062 1/20 0.45
UGCG Q16739 1/20 0.45
GBA2 Q9HCG7 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL2958 0.93 GBA1 (0.48) FFAR1AKR1B1ESR2GBA1UGCG
SCHEMBL6960030 0.84 ESR2 (0.59) FFAR1AKR1B1ESR2GBA1UGCG
SCHEMBL2545 0.83 L3MBTL1 (0.47) FFAR1AKR1B1ESR2TSHRHSD17B10
SCHEMBL6952546 0.83 FFAR1 (0.57) FFAR1AKR1B1ESR2GBA1UGCG
Hydrochloric Acid SCHEMBL2743 0.82 L3MBTL1 (0.49) FFAR1AKR1B1ESR2TSHRHSD17B10
SCHEMBL8383188 0.81 MYC (0.43) FFAR1AKR1B1ESR2TSHRHSD17B10
SCHEMBL6961295 0.81 FFAR1 (0.55) FFAR1AKR1B1ESR2GBA1UGCG
SCHEMBL6960223 0.80 GBA1 (0.54) FFAR1AKR1B1ESR2GBA1UGCG
SCHEMBL176947 0.79 MEN1 (0.61) TSHRMEN1KMT2ADRD4BCHE
SCHEMBL2405 0.79 DRD4 (0.50) FFAR1AKR1B1ESR2TSHRHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
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