SCHEMBL8820705

SCHEMBL8820705

CCC(=O)c1c(CCN)cccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.52
DPP4 P27487 1/20 0.46
KMT2A Q03164 1/20 0.44
ADRA2C P18825 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
HMGB1 P09429 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
TAAR1 Q96RJ0 3/20 0.39
ALDH1A1 P00352 1/20 0.39
BACE1 P56817 1/20 0.38
FFAR1 O14842 2/20 0.37

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
SCHEMBL8085529 0.78 MAPT (0.47) FOLH1DPP4KMT2AMAPTSMN1; SMN2
SCHEMBL1868872 0.77 DPP4 (0.68) DPP4KMT2AADRA2CSMN1; SMN2TAAR1
SCHEMBL25171586 0.75 FOLH1 (0.71) FOLH1DPP4KMT2APTGER1PTGER4
Boric Acid SCHEMBL29044400 0.74 DPP4 (0.55) FOLH1DPP4KMT2AADRA2CPTGER1
Boric Acid SCHEMBL28704755 0.74 DPP4 (0.59) FOLH1DPP4KMT2AADRA2CPTGER1
SCHEMBL28181874 0.73 FOLH1 (0.64) FOLH1KMT2APTGER1PTGER4PTGER3
SCHEMBL25264013 0.73 FOLH1 (0.68) FOLH1MAPT
SCHEMBL25181448 0.73 FOLH1 (0.68) FOLH1DPP4KMT2APTGER1PTGER4
SCHEMBL7133141 0.72 FOLH1 (0.50) FOLH1DPP4KMT2APTGER1PTGER4
SCHEMBL28036728 0.72 FOLH1 (0.71) FOLH1DPP4KMT2APTGER1PTGER4

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
WO-1997046547-A1 β-SHEET NUCLEATING PEPTIDOMIMETICS THE TEXAS A & M UNIVERSITY SYSTEM (US) 1997-12-11 WO disclosed