SCHEMBL8716833

SCHEMBL8716833

CN1C(=O)C(NC(=O)CCC2CCCCC2)N(O)C(c2ccccc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
ALDH1A1 P00352 7/20 0.43
TP53 P04637 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
HPGD P15428 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL7089746 1.00 KCNH2 (0.54) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL7817889 0.80 KCNH2 (0.54) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL7818407 0.80 KCNH2 (0.54) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL7817883 0.80 KCNH2 (0.54) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL7818414 0.80 KCNH2 (0.54) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL7817893 0.80 KCNH2 (0.54) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL8608848 0.80 KCNH2 (0.41) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL7206914 0.74 KCNH2 (0.52) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL7087130 0.72 KCNH2 (0.49) KCNH2ALDH1A1TP53HPGDMEN1
SCHEMBL7820263 0.71 KCNH2 (0.67) KCNH2PSEN1PSEN2APH1BNCSTN

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-5817658-A ADMINISTERING A DIAZEPINE COMPOUND; DISEASES OF THE EAR MERCK & COMPANY, INC. (US) 1998-10-06 US disclosed