SCHEMBL7306852

SCHEMBL7306852

O=C(O)C1CCN(C(=O)CCCc2ccccc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.83
L3MBTL1 Q9Y468 1/20 0.68
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
AR P10275 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CACNA1G O43497 1/20 0.56
CACNA1H O95180 1/20 0.56
SIGMAR1 Q99720 2/20 0.54
FKBP1A P62942 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PREP P48147 2/20 0.51

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
SCHEMBL1221986 0.91 POLB (1.00) POLBL3MBTL1NPC1RAB9ATDP1
SCHEMBL17551531 0.83 SIGMAR1 (0.59) POLBNPC1RAB9AARTDP1
SCHEMBL8599293 0.83 NPC1 (0.81) NPC1RAB9AARTDP1SMN1; SMN2
SCHEMBL17117487 0.82 POLB (0.61) POLBNPC1RAB9AARTDP1
SCHEMBL7309037 0.81 L3MBTL1 (1.00) POLBL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL7730871 0.81 NPC1 (0.68) POLBL3MBTL1NPC1RAB9AAR
SCHEMBL10371234 0.81 NPC1 (0.78) NPC1RAB9AARTDP1SMN1; SMN2
SCHEMBL24533902 0.81 POLB (0.56) POLBNPC1RAB9AARTDP1
SCHEMBL26107974 0.81 POLB (0.59) POLBNPC1RAB9ATDP1CACNA1G
SCHEMBL26113012 0.81 POLB (0.59) POLBNPC1RAB9ATDP1CACNA1G

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-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed