SCHEMBL8560348

SCHEMBL8560348

CCN(CC)CCC1(NC(=O)OCc2ccccc2)C(=O)Nc2ccccc2N(CCC(C)C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 3/20 0.36
PSMB5 P28074 3/20 0.36
PSMB9 P28065 2/20 0.36
SLC22A1 O15245 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCKBR P32239 2/20 0.35
TSPO P30536 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL8650565 0.74 CCKBR (0.54) CCKBR
SCHEMBL8563276 0.71 CCKBR (0.50) CCKBR
SCHEMBL8865968 0.65 CCKBR (0.57) CCKBR
SCHEMBL21172170 0.60 HTT (0.63) GAASMN1; SMN2SIRT2LMNA
SCHEMBL8556701 0.59 CCKBR (0.46) CCKBR
SCHEMBL12132431 0.59 CTSB (0.46) RAB9ANPC1SMN1; SMN2CTSLCTSB
SCHEMBL13876812 0.59 SMN1; SMN2 (0.56) RAB9ANPC1MAPK1SMN1; SMN2CTSL
SCHEMBL7378562 0.59 LMNA (0.65) SMN1; SMN2KCNA5LMNA
SCHEMBL12354336 0.58 FOLH1 (0.48) GAASMN1; SMN2LMNA
SCHEMBL24447454 0.58 CTSK (0.62) CTSLCTSBCTSSCTSKSIRT2

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
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US disclosed