SCHEMBL16319389

SCHEMBL16319389

O=C(O)c1[c]cccc1NC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
HCAR3 P49019 4/20 0.42
IDO1 P14902 1/20 0.41
MAPK8 P45983 1/20 0.41
HDAC8 Q9BY41 1/20 0.39
RAB9A P51151 4/20 0.39
EPHX2 P34913 2/20 0.39
EPHX1 P07099 2/20 0.39
CISD1 Q9NZ45 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL3274851 0.74 MAPK8 (0.60) MAPTKDM4EGAAKMT2ASMN1; SMN2
SCHEMBL31061416 0.74 MAPK8 (0.60) MAPTKDM4EGAAKMT2ASMN1; SMN2
SCHEMBL9501452 0.72 MAPK8 (0.58) MAPTKDM4EGAAKMT2ASMN1; SMN2
SCHEMBL16319417 0.71 KDM4E (0.46) MAPTKDM4EGAAKMT2ASMN1; SMN2
SCHEMBL20336230 0.70 KDM4E (0.73) MAPTKDM4EGAAKMT2ASMN1; SMN2
SCHEMBL11523761 0.70 KDM4E (0.73) MAPTKDM4EGAAKMT2ASMN1; SMN2
SCHEMBL4495740 0.70 KDM4E (0.73) MAPTKDM4EGAAKMT2ASMN1; SMN2
SCHEMBL29449726 0.70 KDM4E (0.73) MAPTKDM4EGAAKMT2ASMN1; SMN2
Bicarbonate SCHEMBL11086979 0.70 P2RX7 (0.55) MAPTKDM4EGAAKMT2ASMN1; SMN2
SCHEMBL10787690 0.70 MAPK8 (0.52) MAPTKDM4EGAAKMT2ASMN1; 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-2544684-B1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA NV (BE) 2014-12-24 EP disclosed