SCHEMBL9056641

SCHEMBL9056641

c1ccc(CN(C2CCCCCC2)n2ccnn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 1/20 0.40
CYP19A1 P11511 2/20 0.40
AGER Q15109 3/20 0.38
MTNR1A P48039 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SLC18A3 Q16572 1/20 0.35

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
SCHEMBL9056764 0.82 G6PC1 (0.41) G6PC1AGERMTNR1AL3MBTL1TSHR
SCHEMBL8810832 0.79 G6PC1 (0.46) G6PC1AGERMTNR1AL3MBTL1HTT
SCHEMBL8818077 0.77 G6PC1 (0.44) G6PC1CYP19A1AGERMTNR1AL3MBTL1
SCHEMBL9056534 0.75 CYP19A1 (0.51) G6PC1CYP19A1
SCHEMBL9062965 0.75 G6PC1 (0.40) G6PC1CYP19A1AGERMTNR1AL3MBTL1
SCHEMBL24323034 0.69 G6PC1 (0.51) G6PC1AGERMTNR1AL3MBTL1HTT
SCHEMBL8172289 0.69 G6PC1 (0.51) G6PC1AGERMTNR1AL3MBTL1HTT
SCHEMBL9057773 0.69 MC4R (0.46) G6PC1AGERMTNR1AUSP2HPGD
SCHEMBL7885548 0.68 G6PC1 (0.54) G6PC1AGERMTNR1ATSHRUSP2
SCHEMBL515999 0.68 G6PC1 (0.54) G6PC1AGERMTNR1ATSHRUSP2

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
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed