SCHEMBL7098255

SCHEMBL7098255

CC1(C(=O)O)CCC(C(=O)N[C@@H](Cc2cn(Cc3c(Cl)cccc3Cl)cn2)C(=O)O)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRHR P34981 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRHDE Q9UKU6 1/20 0.37
TP53 P04637 1/20 0.37
ITGA4 P13612 6/20 0.36
CPB2 Q96IY4 4/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITGB1 P05556 1/20 0.35

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
SCHEMBL7098260 1.00 TRHR (0.39) TRHRNPSR1MEN1KMT2ATRHDE
SCHEMBL7099205 0.90 TRHR (0.48) TRHRNPSR1MEN1KMT2ATRHDE
SCHEMBL7099203 0.90 TRHR (0.48) TRHRNPSR1MEN1KMT2ATRHDE
SCHEMBL7103875 0.88 TRHR (0.41) TRHRNPSR1MEN1KMT2ATRHDE
SCHEMBL7103872 0.88 TRHR (0.41) TRHRNPSR1MEN1KMT2ATRHDE
SCHEMBL7099517 0.87 TRHDE (0.40) TRHRNPSR1MEN1KMT2ATRHDE
SCHEMBL7099521 0.87 TRHDE (0.40) TRHRNPSR1MEN1KMT2ATRHDE
SCHEMBL7103893 0.86 NPSR1 (0.36) TRHRNPSR1MEN1KMT2ATRHDE
SCHEMBL7103890 0.86 NPSR1 (0.36) TRHRNPSR1MEN1KMT2ATRHDE
SCHEMBL7099084 0.84 NPSR1 (0.43) TRHRNPSR1MEN1KMT2ATRHDE

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-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP claimed