SCHEMBL14450366

SCHEMBL14450366

CCCCN1CCC(NC(=O)OC(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.51
EPHX2 P34913 2/20 0.51
DRD2 P14416 1/20 0.46
HSD11B1 P28845 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
CCR1 P32246 1/20 0.42
HTR4 Q13639 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CHRM3 P20309 1/20 0.40
GNAI3 P08754 2/20 0.40
GNAO1 P09471 2/20 0.40
GNAI1 P63096 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL20349567 0.85 HSD11B1 (0.47) EPHX1EPHX2DRD2HSD11B1SLC6A5
SCHEMBL25568030 0.84 HSD11B1 (0.47) DRD2HSD11B1
SCHEMBL12282454 0.80 HSD11B1 (0.50) DRD2HSD11B1KDM4EALDH1A1
SCHEMBL20970613 0.78 EPHX1 (0.59) EPHX1EPHX2CCR1MEN1KMT2A
SCHEMBL11960652 0.77 EPHX1 (0.57) EPHX1EPHX2SLC6A5CCR1HTR4
SCHEMBL103089 0.76 HSD11B1 (0.47) EPHX1EPHX2DRD2HSD11B1L3MBTL1
SCHEMBL20061838 0.75 CCR1 (0.51) EPHX1EPHX2CCR1HTR4CHRM3
SCHEMBL12283608 0.75 L3MBTL1 (0.56) HSD11B1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL14252361 0.75 HSD11B1 (0.49) EPHX1EPHX2DRD2HSD11B1ALDH1A1
SCHEMBL18676271 0.75 EPHX1 (0.54) EPHX1EPHX2L3MBTL1MEN1KMT2A

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-7241763-B2 3-furanyl analogs of toxoflavine as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed