SCHEMBL5801660

SCHEMBL5801660

O=C(O)CCC1=CC=NSc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
FFAR1 O14842 8/20 0.40
FFAR4 Q5NUL3 2/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
NR4A2 P43354 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARA Q07869 2/20 0.36
PPARD Q03181 1/20 0.36
HDAC3 O15379 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
HDAC4 P56524 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11096875 0.84 AKR1B1 (0.38) LMNAKMT2ARXFP1
SCHEMBL5801752 0.72 MAPT (0.36) MEN1KMT2AMAPT
SCHEMBL6522978 0.70 KEAP1 (0.43) KEAP1FFAR1FFAR4PTGER1PTGER4
SCHEMBL8484227 0.66 KEAP1 (0.50) KEAP1FFAR1FFAR4PTGER1PTGER4
SCHEMBL71453 0.64 PTGER4 (0.68) KEAP1FFAR1FFAR4PTGER1PTGER4
SCHEMBL6535771 0.62 CDC25A (0.56) KEAP1FFAR1MEN1LMNAKMT2A
SCHEMBL9264064 0.62 KEAP1 (0.46) KEAP1FFAR1FFAR4PTGER1PTGER4
SCHEMBL2426303 0.61 KEAP1 (0.44) KEAP1FFAR1FFAR4PTGER1PTGER4
Phenyl Propionic Acid SCHEMBL29619843 0.61 KEAP1 (1.00) KEAP1FFAR1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL3419 0.61 KEAP1 (1.00) KEAP1FFAR1FFAR4HDAC3MAPK1

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-2006079077-A2 USE OF DILTIAZEM OR ANALOGS THEREOF AS MODULATORS OF GHRELIN RECEPTOR ACADIA PHARMACEUTICALS INC. (US) 2006-07-27 WO disclosed