SCHEMBL7845356

SCHEMBL7845356

O=C1CCN(c2ccc(NC3CCN(c4ccccc4)CC3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
ALOX12 P18054 2/20 0.45
HDAC1 Q13547 2/20 0.42
ME3 Q16798 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
EPHX2 P34913 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CNR1 P21554 1/20 0.41
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL5534878 0.80 ME3 (0.47) ALDH1A1MAPTHDAC1ME3SMN1; SMN2
SCHEMBL12082455 0.80 CARM1 (0.47) MAPTSMN1; SMN2DRD2DRD3MBTD1
SCHEMBL17832734 0.79 LTA4H (0.56) HDAC1SMN1; SMN2HDAC8HDAC6EPHX2
SCHEMBL532107 0.79 LMNA (0.52) ALDH1A1MAPTALOX12SMN1; SMN2NPC1
SCHEMBL5534883 0.77 ME3 (0.61) ALDH1A1MAPTGAAME3SMN1; SMN2
SCHEMBL5541176 0.77 CARM1 (0.47) ALDH1A1MAPTHDAC1ME3SMN1; SMN2
SCHEMBL17832738 0.77 POLB (0.48) DRD2DRD3KDM4EPOLB
SCHEMBL7845352 0.76 MBTD1 (0.46) MBTD1L3MBTL3L3MBTL1ALOX15
Ethylene SCHEMBL3717036 0.75 LMNA (0.48) ALDH1A1MAPTALOX12SMN1; SMN2NPC1
SCHEMBL9639438 0.74 HDAC1 (0.50) HDAC1SMN1; SMN2DRD2DRD3HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed