SCHEMBL8745696

SCHEMBL8745696

CCOC(=O)CCCC(C#N)c1cc(Cl)c(Cl)cc1CCOC1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4C Q9H3R0 1/20 0.32
SLC6A3 Q01959 4/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PGR P06401 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
P2RY12 Q9H244 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
SCHEMBL6543753 0.72 MEN1 (0.38) MEN1KMT2ASLC6A3
SCHEMBL8485274 0.72 MEN1 (0.36) MEN1KMT2ASLC6A3
SCHEMBL8003850 0.72 MEN1 (0.48) MEN1KMT2ARAB9AL3MBTL1
SCHEMBL11537124 0.71 MEN1 (0.50) MEN1KMT2ARAB9A
SCHEMBL1263510 0.71 MEN1 (0.50) MEN1KMT2ARAB9A
SCHEMBL8484373 0.71 MEN1 (0.38) MEN1KMT2AKDM4CSLC6A3
SCHEMBL6952332 0.70 SLC6A3 (0.36) MEN1KMT2AKDM4CSLC6A3NPC1
SCHEMBL8316137 0.70 SLC6A3 (0.45) MEN1KMT2AKDM4CSLC6A3NPC1
SCHEMBL25176578 0.70 KMT2A (0.44) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL8556420 0.69 MEN1 (0.41) MEN1KMT2AKDM4CSLC6A3

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-5679693-A TREATMENT OF PATHOLOGICAL CONDITIONS INVOLVING THE TACHYKININ SYSTEM SANOFI (FR) 1997-10-21 US disclosed