SCHEMBL7103893

SCHEMBL7103893

CC1(C)[C@@H](C(=O)N[C@@H](Cc2cn(Cc3ccc(Cl)cc3Cl)cn2)C(=O)O)CC[C@@]1(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRHR P34981 1/20 0.36
TRHDE Q9UKU6 1/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
ITGAL P20701 2/20 0.35
CPB2 Q96IY4 2/20 0.35
P2RX7 Q99572 3/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL7103890 1.00 NPSR1 (0.36) NPSR1MEN1KMT2ATRHRTRHDE
SCHEMBL7103872 0.89 TRHR (0.41) NPSR1MEN1KMT2ATRHRTRHDE
SCHEMBL7103875 0.89 TRHR (0.41) NPSR1MEN1KMT2ATRHRTRHDE
SCHEMBL7099521 0.86 TRHDE (0.40) NPSR1MEN1KMT2ATRHRTRHDE
SCHEMBL7099517 0.86 TRHDE (0.40) NPSR1MEN1KMT2ATRHRTRHDE
SCHEMBL7098260 0.86 TRHR (0.39) NPSR1MEN1KMT2ATRHRTRHDE
SCHEMBL7098255 0.86 TRHR (0.39) NPSR1MEN1KMT2ATRHRTRHDE
SCHEMBL7099205 0.86 TRHR (0.48) NPSR1MEN1KMT2ATRHRTRHDE
SCHEMBL7099203 0.86 TRHR (0.48) NPSR1MEN1KMT2ATRHRTRHDE
SCHEMBL7099084 0.82 NPSR1 (0.43) NPSR1MEN1KMT2ATRHRTRHDE

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