SCHEMBL8783148

SCHEMBL8783148

COC(OC)c1ccc(-c2ccccc2-c2nnn(C(C)Cc3ccccc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PPARA Q07869 5/20 0.36
PPARG P37231 4/20 0.36
LTA4H P09960 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC6A3 Q01959 1/20 0.35
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AGTR1 P30556 1/20 0.34

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
SCHEMBL8783164 0.82 TDP1 (0.39) ABCG2TDP1PPARAPPARGLTA4H
SCHEMBL8783143 0.79 ABCG2 (0.35) ABCG2NPC1RAB9AL3MBTL1LTA4H
SCHEMBL8783155 0.78 NPSR1 (0.41) ABCG2NPC1RAB9AL3MBTL1LTA4H
SCHEMBL9429885 0.77 ABCG2 (0.40) ABCG2NPC1RAB9AL3MBTL1NPSR1
SCHEMBL7344950 0.76 ABCG2 (0.39) ABCG2NPC1RAB9AL3MBTL1NPSR1
SCHEMBL5389049 0.76 TDP1 (0.37) NPC1RAB9AL3MBTL1TDP1PPARA
SCHEMBL5394050 0.75 TDP1 (0.40) RAB9AL3MBTL1TDP1LTA4HCYP2D6
SCHEMBL9430303 0.74 AGTR1 (0.41) ABCG2NPC1RAB9AL3MBTL1NPSR1
SCHEMBL8783257 0.74 TDP1 (0.36) ABCG2NPC1RAB9AL3MBTL1TDP1
SCHEMBL9431379 0.73 AGTR1 (0.39) ABCG2NPC1RAB9AL3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760814-A1 A PROCESS FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1997-03-12 EP disclosed
WO-1995032961-A1 A PROCESS FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1995-12-07 WO disclosed