SCHEMBL28870796

SCHEMBL28870796

CC(C)N1CCCC(C(=O)C2CCCN(C(C)C)C2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.48
HRH3 Q9Y5N1 4/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 1/20 0.39
HSD11B1 P28845 1/20 0.39
PARP1 P09874 2/20 0.35
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KAT2B Q92831 1/20 0.34
CCR2 P41597 1/20 0.33

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
SCHEMBL12741545 0.86 KDM2B (0.47) KDM2BHRH3CYP2D6TSHRHSD11B1
SCHEMBL3563641 0.86 ALDH1A1 (0.49) KDM2BHRH3CYP2D6TSHRHSD11B1
SCHEMBL12259378 0.86 ALDH1A1 (0.49) KDM2BHRH3CYP2D6TSHRHSD11B1
SCHEMBL8062721 0.86 ALDH1A1 (0.49) KDM2BHRH3CYP2D6TSHRHSD11B1
SCHEMBL16158943 0.86 KDM2B (0.47) KDM2BHRH3CYP2D6TSHRHSD11B1
SCHEMBL16158846 0.86 KDM2B (0.47) KDM2BHRH3CYP2D6TSHRHSD11B1
SCHEMBL23028527 0.85 KDM2B (0.46) KDM2BHRH3CYP2D6TSHRHSD11B1
SCHEMBL2758657 0.85 KDM2B (0.46) KDM2BHRH3CYP2D6TSHRHSD11B1
SCHEMBL12258721 0.85 KMT2A (0.47) KDM2BHRH3CYP2D6PARP1ALDH1A1
SCHEMBL12258852 0.85 KMT2A (0.47) KDM2BHRH3CYP2D6PARP1ALDH1A1

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
CN-109563016-A Using single hydrogen perfluoro alkane as the manufacturing method of the all-fluoroalkyl compound of starting material 关东电化工业株式会社 2019-04-02 CN disclosed