SCHEMBL6551583

SCHEMBL6551583

COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(-c2ccc(C(C)C)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
NAMPT P43490 1/20 0.47
NR3C1 P04150 2/20 0.46
PANK3 Q9H999 3/20 0.44
TP53 P04637 3/20 0.43
THRB P10828 1/20 0.43
NPY2R P49146 1/20 0.43
RET P07949 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6697823 0.90 MAPT (0.53) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL6550946 0.88 MAPT (0.52) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL6695030 0.81 MAPT (0.53) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL5459702 0.79 MAPT (0.63) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL6698918 0.79 MAPT (0.53) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL7253222 0.79 MAPT (0.51) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL6549725 0.79 MAPT (0.55) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL6550140 0.78 MAPT (0.53) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL10223333 0.77 MAPT (0.64) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL6698710 0.74 MAPT (0.56) MAPTSMN1; SMN2MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383753-A1 PIPERAZINE-BENZAMIDE DERIVATIVES USEFUL AS APOB-100 AND/OR MTP INHIBITOR GLAXO GROUP LIMITED (GB) 2004-01-28 EP disclosed
WO-2002083658-A1 PIPERAZINE-BENZAMIDE DERIVATIVES USEFUL AS APOB-100 AND/OR MTP INHIBITOR GLAXO GROUP LIMITED (GB) 2002-10-24 WO disclosed