SCHEMBL5750809

SCHEMBL5750809

COc1ccc2nccc(NC(=O)OC3(N)CCN(CCc4ccc5c(c4)NC(=O)CS5)CC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 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
SCHEMBL5750711 0.93 KCNH2 (0.40) KCNH2MEN1KMT2AHTR1ADRD2
SCHEMBL5751255 0.93 KCNH2 (0.38) KCNH2MEN1KMT2AHTR1ADRD2
SCHEMBL5747711 0.91 KCNH2 (0.38) KCNH2MEN1KMT2AHTR1ADRD2
SCHEMBL5750830 0.90 KCNH2 (0.38) KCNH2MEN1KMT2AHTR1ADRD2
SCHEMBL5777425 0.88 KCNH2 (0.40) KCNH2MEN1KMT2AHTR1ADRD2
SCHEMBL5750648 0.88 KCNH2 (0.39) KCNH2MEN1KMT2AHTR1ADRD2
SCHEMBL5746077 0.88 KCNH2 (0.40) KCNH2MEN1KMT2AHTR1ADRD2
SCHEMBL5764669 0.87 KCNH2 (0.45) KCNH2
SCHEMBL14573142 0.85 KCNH2 (0.44) KCNH2
SCHEMBL5748231 0.81 KCNH2 (0.43) KCNH2HTR1ADRD2HTR2A

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-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP claimed