SCHEMBL7103519

SCHEMBL7103519

CC1(C(=O)O)CCC(C(=O)N[C@@H](Cc2cn(Cc3ccc4ccccc4c3)cn2)C(=O)O)C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRHDE Q9UKU6 1/20 0.50
PIN1 Q13526 3/20 0.41
TRHR P34981 1/20 0.41
CAPN1 P07384 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
MME P08473 2/20 0.36
ACE P12821 2/20 0.36
CPA1 P15085 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
TNIK Q9UKE5 1/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 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
SCHEMBL7103521 1.00 TRHDE (0.50) TRHDEPIN1TRHRCAPN1NPSR1
SCHEMBL7099203 0.91 TRHR (0.48) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7099205 0.91 TRHR (0.48) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7099521 0.88 TRHDE (0.40) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7099517 0.88 TRHDE (0.40) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7103875 0.88 TRHR (0.41) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7103872 0.88 TRHR (0.41) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7099084 0.87 NPSR1 (0.43) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7099085 0.87 NPSR1 (0.43) TRHDETRHRNPSR1MEN1KMT2A
SCHEMBL7097645 0.85 MME (0.49) PIN1NPSR1MEN1KMT2ATP53

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