SCHEMBL4748847

SCHEMBL4748847

Cc1cccc(-c2c(Cl)cccc2C(=O)C2CCCNC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT7 O95251 2/20 0.44
SLC6A2 P23975 9/20 0.40
SLC6A4 P31645 9/20 0.40
SLC6A3 Q01959 9/20 0.40
KCNH2 Q12809 6/20 0.40
CDK9 P50750 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
OPRK1 P41145 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
KAT6A Q92794 1/20 0.36
CCNT1 O60563 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
SCHEMBL9017801 0.79 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL2847273 0.77 POLB (0.47)
SCHEMBL4752711 0.76 ALDH1A1 (0.50) NPSR1
SCHEMBL5592323 0.76 POLB (0.42)
SCHEMBL4755192 0.75 SLC6A2 (0.49) KAT7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2850273 0.72 KAT6A (0.49) KAT7KAT6A
SCHEMBL2850274 0.72 KAT6A (0.49) KAT7KAT6A
SCHEMBL4972870 0.72 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4776325 0.70 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2CDK9
SCHEMBL2850980 0.69 REN (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed