SCHEMBL6562359

SCHEMBL6562359

[NH]C(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
SLC6A3 Q01959 8/20 0.44
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNQ2 O43526 1/20 0.39
METAP2 P50579 1/20 0.39
FFAR2 O15552 1/20 0.38

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
SCHEMBL6562304 1.00 KCNH2 (0.46) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2647203 0.88 SLC6A3 (0.47) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2646813 0.86 SLC6A3 (0.48) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2648622 0.86 SLC6A3 (0.48) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2646335 0.85 KCNH2 (0.47) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2646333 0.85 KCNH2 (0.47) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2648221 0.85 SLC6A3 (0.44) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2662486 0.85 KCNH2 (0.43) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2645714 0.85 KCNH2 (0.43) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2645000 0.84 SLC6A3 (0.46) KCNH2SLC6A3LMNACYP1A2CYP3A4

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
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed