SCHEMBL6550140

SCHEMBL6550140

Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 2/20 0.49
NAMPT P43490 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
MCL1 Q07820 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
NR3C1 P04150 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LCK P06239 1/20 0.46
HCK P08631 1/20 0.46
SRC P12931 1/20 0.46
KDR P35968 1/20 0.46
APOB P04114 3/20 0.46

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
SCHEMBL6549725 0.93 MAPT (0.55) MAPTKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL6550946 0.90 MAPT (0.52) MAPTKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL6698710 0.88 MAPT (0.56) MAPTKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL6697823 0.88 MAPT (0.53) MAPTKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL6695066 0.82 MTTP (0.61) MAPTKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL6699496 0.81 RXFP1 (0.52) MAPTSMN1; SMN2ALDH1A1KDM4EAPOB
SCHEMBL24989582 0.80 MAPT (0.60) MAPTKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL11960760 0.79 KMT2A (0.71) MAPTKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL7258612 0.79 MAPT (0.51) MAPTKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL6496929 0.79 MAPT (0.57) MAPTKMT2AMEN1SMN1; SMN2TSHR

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