SCHEMBL9850744

SCHEMBL9850744

CCOC(=O)CCCN1Cc2ncccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNF P01375 11/20 0.51
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CNR2 P34972 1/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL16540227 0.93 MAPT (0.49) TNFMAPTNPC1TP53RAB9A
SCHEMBL9850887 0.81 TNF (0.46) TNFMAPTGAAKDM4ECNR2
SCHEMBL20324958 0.81 MAPT (0.50) MAPTNPC1TP53RAB9ASMN1; SMN2
SCHEMBL7429783 0.81 ALOX15 (0.59) TNFSMN1; SMN2KDM4E
SCHEMBL20372453 0.80 NPC1 (0.49) MAPTNPC1TP53RAB9ASMN1; SMN2
SCHEMBL30059278 0.78 NPC1 (0.52) MAPTNPC1TP53RAB9ASMN1; SMN2
SCHEMBL9850718 0.76 HCRTR1 (0.62) TP53RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL15757029 0.76 CHRM1 (0.47) MAPTNPC1TP53RAB9ASMN1; SMN2
SCHEMBL21162380 0.75 NPC1 (0.55) MAPTNPC1TP53RAB9ASMN1; SMN2
SCHEMBL30058616 0.75 NPC1 (0.55) MAPTNPC1TP53RAB9ASMN1; SMN2

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-0416740-A2 Novel compounds with renin-inhibiting activity Beecham Group p.l.c. (GB) 1991-03-13 EP disclosed