SCHEMBL3697776

SCHEMBL3697776

COc1cccc2c(C(O)CN3CCCC(NCC(C4=CC=CCC4)C4=COC=CO4)CC3)ccnc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 11/20 0.38
SIGMAR1 Q99720 1/20 0.37
KCNH2 Q12809 2/20 0.35
ABCB1 P08183 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5254100 0.88 KCNH2 (0.36) SLC2A1SIGMAR1KCNH2ABCB1
SCHEMBL5651029 0.86 SLC2A1 (0.53) SLC2A1KCNH2
SCHEMBL3686883 0.85 KCNH2 (0.34) SLC2A1SIGMAR1KCNH2
SCHEMBL3695685 0.78 DRD4 (0.30)
SCHEMBL5262026 0.77 KCNH2 (0.32) KCNH2
SCHEMBL3690918 0.76 BCHE (0.32) MEN1KMT2A
SCHEMBL5255791 0.73 KCNH2 (0.52) SLC2A1KCNH2MEN1KMT2A
SCHEMBL3694994 0.72
SCHEMBL5254382 0.72 KCNH2 (0.51) SLC2A1KCNH2
SCHEMBL3775157 0.71 KCNH2 (0.41) SLC2A1KCNH2

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-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed