SCHEMBL8619031

SCHEMBL8619031

N#C/N=C(/Nc1ccc(NCCF)nc1)NC1(c2ccccc2)CCC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
DGAT1 O75907 1/20 0.32
VNN1 O95497 1/20 0.32
NAMPT P43490 1/20 0.32
DPP4 P27487 1/20 0.31
APP P05067 2/20 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
SCHEMBL7354766 1.00 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC6DGAT1
SCHEMBL7358018 0.82 VNN1 (0.35) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL7358020 0.82 VNN1 (0.35) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL8439682 0.79 VNN1 (0.36) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL7354769 0.79 P2RX7 (0.38) HDAC1DGAT1NAMPTAPP
SCHEMBL7357917 0.77 P2RX7 (0.41) NAMPT
SCHEMBL4259491 0.77 P2RX7 (0.41) NAMPT
SCHEMBL13949283 0.77 P2RX7 (0.41) NAMPT
SCHEMBL8620022 0.77 HRH4 (0.40) HDAC1NAMPT
SCHEMBL8619793 0.75 HDAC3 (0.35) HDAC3HDAC1HDAC6DGAT1APP

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-0741708-B1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS UPJOHN CO (US) 1998-05-20 EP claimed