SCHEMBL4485283

SCHEMBL4485283

Cc1ccc2cccc(NC(=O)[C@]3(O)CC[C@H](NCc4cc5c(cn4)OCCO5)CC3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 1.00
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4485290 1.00 KCNH2 (1.00) KCNH2GAAALDH1A1TSHRHSD17B10
SCHEMBL4485277 1.00 KCNH2 (1.00) KCNH2GAAALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL4485249 0.99 KCNH2 (0.98) KCNH2GAA
Hydrochloric Acid SCHEMBL4485248 0.99 KCNH2 (0.98) KCNH2GAA
Hydrochloric Acid SCHEMBL4485251 0.99 KCNH2 (0.98) KCNH2GAA
SCHEMBL4496596 0.90 KCNH2 (0.82) KCNH2
SCHEMBL4496588 0.90 KCNH2 (0.82) KCNH2
SCHEMBL4496583 0.90 KCNH2 (0.82) KCNH2
SCHEMBL13633348 0.90 KCNH2 (0.81) KCNH2
Hydrochloric Acid SCHEMBL4483213 0.90 KCNH2 (0.81) KCNH2

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
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US claimed