SCHEMBL9752052

SCHEMBL9752052

O=C(CCc1cccc(O)c1)ON1C(=O)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CALM1 P0DP23 2/20 0.40
NR1H3 Q13133 3/20 0.40
TYR P14679 1/20 0.40
SPR P35270 1/20 0.40
PSMB8 P28062 1/20 0.39
PSMB5 P28074 1/20 0.39
DAO P14920 1/20 0.39
IDO1 P14902 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL17767816 0.91 PSMB8 (0.42) PSMB8PSMB5
SCHEMBL31225984 0.87 KMT2A (0.46) DRD2DRD1TAAR1CALM1TYR
SCHEMBL19644254 0.86 KEAP1 (0.45) PSMB8PSMB5
SCHEMBL30363197 0.86 KEAP1 (0.45) PSMB8PSMB5
SCHEMBL436079 0.84 TDP1 (0.54) HDAC6PSMB8PSMB5
SCHEMBL27891869 0.84 PSMB8 (0.47) PSMB8PSMB5
SCHEMBL18751744 0.84 PSMB8 (0.38) PSMB8PSMB5
SCHEMBL112099 0.82 FAAH (0.41) NR1H3PSMB8PSMB5
SCHEMBL19658184 0.82 TDP1 (0.42) PSMB8PSMB5
SCHEMBL7525080 0.82 APP (0.56) DRD2DRD1TAAR1TYR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449884-A4 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS 1991-10-30 EP disclosed
EP-0449884-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1991-10-09 EP disclosed